(NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine

C17H13NO2 — CID 141245477

IUPAC(NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine
SMILESO/N=C(\C=C\c1ccccc1)C1=C(c2ccccc2)O1
InChIInChI=1S/C17H13NO2/c19-18-15(12-11-13-7-3-1-4-8-13)17-16(20-17)14-9-5-2-6-10-14/h1-12,19H/b12-11+,18-15+
InChIKeyHZUSQALPQIBWDZ-OBMWWMMPSA-N
MW263.30 g/mol
LogP3.93
Rot. Bonds4

About (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine

(NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine (PubChem CID 141245477) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine
PubChem CID141245477
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine
SMILESO/N=C(\C=C\c1ccccc1)C1=C(c2ccccc2)O1
InChIInChI=1S/C17H13NO2/c19-18-15(12-11-13-7-3-1-4-8-13)17-16(20-17)14-9-5-2-6-10-14/h1-12,19H/b12-11+,18-15+
InChIKeyHZUSQALPQIBWDZ-OBMWWMMPSA-N
XLogP3.93
TPSA45.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.93
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'}

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Related Compounds

(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
CID 90280186
1,5-diphenylpenta-1,4-dien-3-ylidenehydrazine
CID 154293202
N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine
CID 173488881
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-2-[(E)-2-phenylethenyl]but-2-enedioic acid
CID 57461899
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine (CID 141245477) is (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine is O/N=C(\C=C\c1ccccc1)C1=C(c2ccccc2)O1.
What is the InChIKey of (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine?
The InChIKey is HZUSQALPQIBWDZ-OBMWWMMPSA-N. The full InChI is InChI=1S/C17H13NO2/c19-18-15(12-11-13-7-3-1-4-8-13)17-16(20-17)14-9-5-2-6-10-14/h1-12,19H/b12-11+,18-15+.
What are the key properties of (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine?
(NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine has a molecular weight of 263.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 141245477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).