(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide

C16H15NO2 — CID 14687590

IUPAC(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide
SMILESCOc1ccc(/C=C/C=[N+](\[O-])c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-19-16-11-9-14(10-12-16)6-5-13-17(18)15-7-3-2-4-8-15/h2-13H,1H3/b6-5+,17-13-
InChIKeyQORORXGYTXPYHA-LGJKLCFOSA-N
MW253.30 g/mol
LogP3.62
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide

(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide (PubChem CID 14687590) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide
PubChem CID14687590
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide
SMILESCOc1ccc(/C=C/C=[N+](\[O-])c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-19-16-11-9-14(10-12-16)6-5-13-17(18)15-7-3-2-4-8-15/h2-13H,1H3/b6-5+,17-13-
InChIKeyQORORXGYTXPYHA-LGJKLCFOSA-N
XLogP3.62
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide 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-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
3-[4-(dimethylamino)phenyl]-N-phenylprop-2-en-1-imine oxide;hydrochloride
CID 87519765
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
2-(4-methoxyphenyl)-N-phenylethanimine oxide
CID 72617002
9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
CID 139774271
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
1-(4-carboxyphenyl)-N-phenylmethanimine oxide;methane;4-methoxybenzoic acid;N-phenylhydroxylamine
CID 159515207
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1-[(1E,3E)-4-chlorobuta-1,3-dienyl]-4-methoxybenzene
CID 101396307
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide (CID 14687590) is (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide is COc1ccc(/C=C/C=[N+](\[O-])c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide?
The InChIKey is QORORXGYTXPYHA-LGJKLCFOSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-16-11-9-14(10-12-16)6-5-13-17(18)15-7-3-2-4-8-15/h2-13H,1H3/b6-5+,17-13-.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide?
(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide has a molecular weight of 253.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide is sourced from PubChem (CID 14687590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).