A1BDN
Summary
| Name: | 1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one |
| Formula: | C12 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 202.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one |
| OpenEye OEToolkits | 3.1.0.0 | spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC2(CCCC2)Nc2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2,(H,14,15) |
| InChIKey | InChI | 1.06 | BGYVTOPASJGSEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC2(CCCC2)Nc3ccccc13 |
| SMILES | CACTVS | 3.385 | O=C1NC2(CCCC2)Nc3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)C(=O)NC3(N2)CCCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)C(=O)NC3(N2)CCCC3 |
