7F4
Summary
Name: | (3~{R})-3-azanylazepan-2-one |
Formula: | C6 H12 N2 O |
Formal charge: | 0 |
Formula weight: | 128.172 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (3~{R})-3-azanylazepan-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1 |
InChIKey | InChI | 1.03 | BOWUOGIPSRVRSJ-RXMQYKEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CCCCNC1=O |
SMILES | CACTVS | 3.385 | N[CH]1CCCCNC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCNC(=O)[C@@H](C1)N |
SMILES | OpenEye OEToolkits | 2.0.6 | C1CCNC(=O)C(C1)N |