(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine

C11H13NO — CID 12637249

IUPAC(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
SMILESCC(C)=C/C(=N\O)c1ccccc1
InChIInChI=1S/C11H13NO/c1-9(2)8-11(12-13)10-6-4-3-5-7-10/h3-8,13H,1-2H3/b12-11+
InChIKeyWPRFVNFGRKELMC-VAWYXSNFSA-N
MW175.23 g/mol
LogP2.83
Rot. Bonds2

About (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine

(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine (PubChem CID 12637249) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
PubChem CID12637249
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
SMILESCC(C)=C/C(=N\O)c1ccccc1
InChIInChI=1S/C11H13NO/c1-9(2)8-11(12-13)10-6-4-3-5-7-10/h3-8,13H,1-2H3/b12-11+
InChIKeyWPRFVNFGRKELMC-VAWYXSNFSA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.83
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-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine 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

(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
CID 136643584
(NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine
CID 59364072
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579
(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
CID 132542568
N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956
(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
CID 12637252
CID 134863341
CID 134863341
4,4-diphenylbut-3-en-2-one;hydrazine
CID 158754130
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
4,4-diphenylbut-3-en-2-one;ethane;propan-2-one
CID 91332557

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine (CID 12637249) is (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine is CC(C)=C/C(=N\O)c1ccccc1.
What is the InChIKey of (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine?
The InChIKey is WPRFVNFGRKELMC-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(2)8-11(12-13)10-6-4-3-5-7-10/h3-8,13H,1-2H3/b12-11+.
What are the key properties of (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine?
(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine has a molecular weight of 175.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine is sourced from PubChem (CID 12637249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).