(7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one

C16H17NO2 — CID 5359152

IUPAC(7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one
SMILESCOc1ccc(/C=N/C=C\C=CC=CC(C)=O)cc1
InChIInChI=1S/C16H17NO2/c1-14(18)7-5-3-4-6-12-17-13-15-8-10-16(19-2)11-9-15/h3-13H,1-2H3/b4-3?,7-5?,12-6-,17-13+
InChIKeyURUJYFHBUJPPRP-OHIOMEBDSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds6

About (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one

(7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one (PubChem CID 5359152) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one.

Molecular Properties

Compound Name(7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one
PubChem CID5359152
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one
SMILESCOc1ccc(/C=N/C=C\C=CC=CC(C)=O)cc1
InChIInChI=1S/C16H17NO2/c1-14(18)7-5-3-4-6-12-17-13-15-8-10-16(19-2)11-9-15/h3-13H,1-2H3/b4-3?,7-5?,12-6-,17-13+
InChIKeyURUJYFHBUJPPRP-OHIOMEBDSA-N
XLogP3.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
CID 177396976
CID 177396976
(3E,5E)-6-(4-methoxyphenyl)-4-methylhexa-3,5-dien-2-one
CID 135073117
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
methyl (2S)-2-[(4-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 10377371
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(2E,4E)-5-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551866
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265

Frequently Asked Questions

What is the IUPAC name of (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one?
The IUPAC name of (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one (CID 5359152) is (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one.
What is the SMILES notation for (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one?
The canonical SMILES for (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one is COc1ccc(/C=N/C=C\C=CC=CC(C)=O)cc1.
What is the InChIKey of (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one?
The InChIKey is URUJYFHBUJPPRP-OHIOMEBDSA-N. The full InChI is InChI=1S/C16H17NO2/c1-14(18)7-5-3-4-6-12-17-13-15-8-10-16(19-2)11-9-15/h3-13H,1-2H3/b4-3?,7-5?,12-6-,17-13+.
What are the key properties of (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one?
(7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one has a molecular weight of 255.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one is sourced from PubChem (CID 5359152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).