(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine

C15H14N2O — CID 142575083

IUPAC(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(/C=C/c2ncccc2/C=N/O)cc1
InChIInChI=1S/C15H14N2O/c1-12-4-6-13(7-5-12)8-9-15-14(11-17-18)3-2-10-16-15/h2-11,18H,1H3/b9-8+,17-11+
InChIKeyAAIJWTIQMRUEPX-WRFVMNGSSA-N
MW238.29 g/mol
LogP3.37
Rot. Bonds3

About (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 142575083) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine
PubChem CID142575083
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(/C=C/c2ncccc2/C=N/O)cc1
InChIInChI=1S/C15H14N2O/c1-12-4-6-13(7-5-12)8-9-15-14(11-17-18)3-2-10-16-15/h2-11,18H,1H3/b9-8+,17-11+
InChIKeyAAIJWTIQMRUEPX-WRFVMNGSSA-N
XLogP3.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine 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 (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine (CID 142575083) is (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine is Cc1ccc(/C=C/c2ncccc2/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is AAIJWTIQMRUEPX-WRFVMNGSSA-N. The full InChI is InChI=1S/C15H14N2O/c1-12-4-6-13(7-5-12)8-9-15-14(11-17-18)3-2-10-16-15/h2-11,18H,1H3/b9-8+,17-11+.
What are the key properties of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 238.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 142575083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).