4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile

C19H15NO2 — CID 6212947

IUPAC4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
SMILESCOc1ccc2c(c1)CC/C(=C/c1ccc(C#N)cc1)C2=O
InChIInChI=1S/C19H15NO2/c1-22-17-8-9-18-15(11-17)6-7-16(19(18)21)10-13-2-4-14(12-20)5-3-13/h2-5,8-11H,6-7H2,1H3/b16-10-
InChIKeyIIDKNUHFKDAWNT-YBEGLDIGSA-N
MW289.33 g/mol
LogP3.78
Rot. Bonds2

About 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile

4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile (PubChem CID 6212947) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
PubChem CID6212947
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
SMILESCOc1ccc2c(c1)CC/C(=C/c1ccc(C#N)cc1)C2=O
InChIInChI=1S/C19H15NO2/c1-22-17-8-9-18-15(11-17)6-7-16(19(18)21)10-13-2-4-14(12-20)5-3-13/h2-5,8-11H,6-7H2,1H3/b16-10-
InChIKeyIIDKNUHFKDAWNT-YBEGLDIGSA-N
XLogP3.78
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile?
The IUPAC name of 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile (CID 6212947) is 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile?
The canonical SMILES for 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile is COc1ccc2c(c1)CC/C(=C/c1ccc(C#N)cc1)C2=O.
What is the InChIKey of 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile?
The InChIKey is IIDKNUHFKDAWNT-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H15NO2/c1-22-17-8-9-18-15(11-17)6-7-16(19(18)21)10-13-2-4-14(12-20)5-3-13/h2-5,8-11H,6-7H2,1H3/b16-10-.
What are the key properties of 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile?
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile has a molecular weight of 289.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile is sourced from PubChem (CID 6212947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).