(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine

C16H15NO — CID 12637252

IUPAC(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-13(17-18)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12,18H,1H3/b16-12+,17-13+
InChIKeyDEKOOXQBPCOQQX-UNZYHPAISA-N
MW237.30 g/mol
LogP4.08
Rot. Bonds3

About (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine

(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine (PubChem CID 12637252) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
PubChem CID12637252
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-13(17-18)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12,18H,1H3/b16-12+,17-13+
InChIKeyDEKOOXQBPCOQQX-UNZYHPAISA-N
XLogP4.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.08
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
CID 101384779
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
CID 135582748
N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine
CID 150998431
(NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
CID 135696578
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483
(2Z,4E)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienenitrile
CID 135010938
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(3E,5Z)-4-methyl-5,6-diphenylhexa-3,5-dien-1-ol
CID 101399706
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine (CID 12637252) is (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine is CC(=N\O)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine?
The InChIKey is DEKOOXQBPCOQQX-UNZYHPAISA-N. The full InChI is InChI=1S/C16H15NO/c1-13(17-18)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12,18H,1H3/b16-12+,17-13+.
What are the key properties of (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine has a molecular weight of 237.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 12637252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).