N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide

C15H16N2O — CID 3745194

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=C1CC2C=CCC12
InChIInChI=1S/C15H16N2O/c18-15(9-11-5-2-1-3-6-11)17-16-14-10-12-7-4-8-13(12)14/h1-7,12-13H,8-10H2,(H,17,18)
InChIKeyOXZYKAOFDHUCHH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.30
Rot. Bonds3

About N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide (PubChem CID 3745194) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
PubChem CID3745194
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=C1CC2C=CCC12
InChIInChI=1S/C15H16N2O/c18-15(9-11-5-2-1-3-6-11)17-16-14-10-12-7-4-8-13(12)14/h1-7,12-13H,8-10H2,(H,17,18)
InChIKeyOXZYKAOFDHUCHH-UHFFFAOYSA-N
XLogP2.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 9316703
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
CID 6001760
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide
CID 5043950
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
CID 4517502
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 9467244
N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
CID 129438858
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 30180714
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 27516899
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,4-dimethoxybenzamide
CID 9232780
(2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone
CID 9074423
1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea
CID 31332397

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide (CID 3745194) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide is O=C(Cc1ccccc1)NN=C1CC2C=CCC12.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide?
The InChIKey is OXZYKAOFDHUCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(9-11-5-2-1-3-6-11)17-16-14-10-12-7-4-8-13(12)14/h1-7,12-13H,8-10H2,(H,17,18).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide has a molecular weight of 240.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide is sourced from PubChem (CID 3745194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).