(2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone

C21H18N2O — CID 9074423

IUPAC(2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C1\C[C@@H]2C=CC[C@H]12)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(16-10-5-2-6-11-16)20(15-8-3-1-4-9-15)23-22-19-14-17-12-7-13-18(17)19/h1-12,17-18H,13-14H2/b22-19-,23-20-/t17-,18-/m0/s1
InChIKeyAGXGEIAFIKDLMG-IYSKRXOYSA-N
MW314.39 g/mol
LogP4.31
Rot. Bonds4

About (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone (PubChem CID 9074423) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone
PubChem CID9074423
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C1\C[C@@H]2C=CC[C@H]12)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(16-10-5-2-6-11-16)20(15-8-3-1-4-9-15)23-22-19-14-17-12-7-13-18(17)19/h1-12,17-18H,13-14H2/b22-19-,23-20-/t17-,18-/m0/s1
InChIKeyAGXGEIAFIKDLMG-IYSKRXOYSA-N
XLogP4.31
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
CID 3745194
1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea
CID 9241684
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide
CID 4059323
N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
CID 129438858
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 9316703
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524141
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
CID 6001760
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(3Z)-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1H-indol-2-one
CID 135766320
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide
CID 9315386
(1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine
CID 11194424
1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one
CID 49147402

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone (CID 9074423) is (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N\N=C1\C[C@@H]2C=CC[C@H]12)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone?
The InChIKey is AGXGEIAFIKDLMG-IYSKRXOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21(16-10-5-2-6-11-16)20(15-8-3-1-4-9-15)23-22-19-14-17-12-7-13-18(17)19/h1-12,17-18H,13-14H2/b22-19-,23-20-/t17-,18-/m0/s1.
What are the key properties of (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone has a molecular weight of 314.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]hydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 9074423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).