7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one

C15H12N2O2 — CID 134873971

IUPAC7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
SMILESCOc1cccc(/C=N\N2C(=O)c3ccccc32)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)10-16-17-14-8-3-2-7-13(14)15(17)18/h2-10H,1H3/b16-10-
InChIKeyWCXAXOSOYYZHEA-YBEGLDIGSA-N
MW252.27 g/mol
LogP2.69
Rot. Bonds3

About 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one

7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one (PubChem CID 134873971) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one.

Molecular Properties

Compound Name7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
PubChem CID134873971
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
SMILESCOc1cccc(/C=N\N2C(=O)c3ccccc32)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)10-16-17-14-8-3-2-7-13(14)15(17)18/h2-10H,1H3/b16-10-
InChIKeyWCXAXOSOYYZHEA-YBEGLDIGSA-N
XLogP2.69
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one with MolForge

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Related Compounds

2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359739
2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5455823
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
2-(1,3-dioxoisoindol-2-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 73347713
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
(5S)-3-[(Z)-(3-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349778
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 42995827
3-(2-methoxyphenyl)-4-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 5425219

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one?
The IUPAC name of 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one (CID 134873971) is 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one.
What is the SMILES notation for 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one?
The canonical SMILES for 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one is COc1cccc(/C=N\N2C(=O)c3ccccc32)c1.
What is the InChIKey of 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one?
The InChIKey is WCXAXOSOYYZHEA-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)10-16-17-14-8-3-2-7-13(14)15(17)18/h2-10H,1H3/b16-10-.
What are the key properties of 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one?
7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one has a molecular weight of 252.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one is sourced from PubChem (CID 134873971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).