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- ChemComp-P2O: 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE -

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Basic information

EntryDatabase: PDB chemical components / ID: P2O
NameName: 3-prop-2-yn-1-yl-1,3-oxazolidin-2-one / Synonyms: 1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE

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Chemical information

Composition
Formula: C6H7NO2 / Number of atoms: 16 / Formula weight: 125.125 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: P2O
History
Create componentJul 26, 2006
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C1OCCN1CC#C
CACTVS 3.341O=C1OCCN1CC#C
OpenEye OEToolkits 1.5.0C#CCN1CCOC1=O

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SMILES CANONICAL

CACTVS 3.341O=C1OCCN1CC#C
OpenEye OEToolkits 1.5.0C#CCN1CCOC1=O

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InChI

InChI 1.03InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2

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InChIKey

InChI 1.03LLGPRHHHEVBUJY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-prop-2-yn-1-yl-1,3-oxazolidin-2-one
OpenEye OEToolkits 1.5.03-prop-2-ynyl-1,3-oxazolidin-2-one

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PDB-2hot:
Phage selected homeodomain bound to modified DNA

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