(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine

C9H8ClNO — CID 73010452

IUPAC(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine
SMILESO/N=C\C=C(/Cl)c1ccccc1
InChIInChI=1S/C9H8ClNO/c10-9(6-7-11-12)8-4-2-1-3-5-8/h1-7,12H/b9-6-,11-7-
InChIKeyRWDKOOMKPUESNZ-TVBMFEEWSA-N
MW181.62 g/mol
LogP2.73
Rot. Bonds2

About (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine

(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine (PubChem CID 73010452) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine
PubChem CID73010452
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine
SMILESO/N=C\C=C(/Cl)c1ccccc1
InChIInChI=1S/C9H8ClNO/c10-9(6-7-11-12)8-4-2-1-3-5-8/h1-7,12H/b9-6-,11-7-
InChIKeyRWDKOOMKPUESNZ-TVBMFEEWSA-N
XLogP2.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.73
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'}

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Related Compounds

[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
2-[(3-chloro-3-phenylprop-2-enylidene)amino]prop-1-ene-1,1,3-tricarbonitrile
CID 4140225
1,1'-biphenyl;(NZ)-N-[(2Z)-2-hydroxyiminoethylidene]hydroxylamine
CID 135796571
[(E)-1-chloro-4-phenylbut-1-enyl]benzene
CID 22020271
(Z)-3-chloro-3-phenylprop-2-enoyl chloride
CID 13053218
tetrachloro-(2-chloro-2-phenylethenyl)-λ5-phosphane
CID 71388118
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide
CID 102291546
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene
CID 10686344

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine (CID 73010452) is (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine is O/N=C\C=C(/Cl)c1ccccc1.
What is the InChIKey of (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine?
The InChIKey is RWDKOOMKPUESNZ-TVBMFEEWSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-9(6-7-11-12)8-4-2-1-3-5-8/h1-7,12H/b9-6-,11-7-.
What are the key properties of (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine?
(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine has a molecular weight of 181.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine is sourced from PubChem (CID 73010452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).