(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine

C16H19NO — CID 142575120

IUPAC(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine
SMILESCc1ccc(/C=C/C2=C(/C=N/O)CCCC2)cc1
InChIInChI=1S/C16H19NO/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17-18/h6-12,18H,2-5H2,1H3/b11-10+,17-12+
InChIKeyXAVAXLWOXGYLEN-SXSSDGSKSA-N
MW241.33 g/mol
LogP4.34
Rot. Bonds3

About (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine

(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine (PubChem CID 142575120) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine
PubChem CID142575120
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine
SMILESCc1ccc(/C=C/C2=C(/C=N/O)CCCC2)cc1
InChIInChI=1S/C16H19NO/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17-18/h6-12,18H,2-5H2,1H3/b11-10+,17-12+
InChIKeyXAVAXLWOXGYLEN-SXSSDGSKSA-N
XLogP4.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]cyclohexen-1-yl]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]cyclohexen-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine (CID 142575120) is (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine is Cc1ccc(/C=C/C2=C(/C=N/O)CCCC2)cc1.
What is the InChIKey of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine?
The InChIKey is XAVAXLWOXGYLEN-SXSSDGSKSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17-18/h6-12,18H,2-5H2,1H3/b11-10+,17-12+.
What are the key properties of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine?
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine has a molecular weight of 241.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).