(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride

C9H8ClNO — CID 90280186

IUPAC(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
SMILESON=C(Cl)/C=C\c1ccccc1
InChIInChI=1S/C9H8ClNO/c10-9(11-12)7-6-8-4-2-1-3-5-8/h1-7,12H/b7-6-,11-9?
InChIKeyPJTPQUZVZPDJOB-QBGIDEBTSA-N
MW181.62 g/mol
LogP2.73
Rot. Bonds2

About (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride

(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride (PubChem CID 90280186) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
PubChem CID90280186
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
SMILESON=C(Cl)/C=C\c1ccccc1
InChIInChI=1S/C9H8ClNO/c10-9(11-12)7-6-8-4-2-1-3-5-8/h1-7,12H/b7-6-,11-9?
InChIKeyPJTPQUZVZPDJOB-QBGIDEBTSA-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

(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium
CID 11353285
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene
CID 102383415
1,5-diphenylpenta-1,4-dien-3-ylidenehydrazine
CID 154293202
tetrakis(3-phenylprop-2-enoate);tin(4+)
CID 157178082
barium(2+);bis(3-phenylprop-2-enoate)
CID 57371058
sodium (Z)-3-phenylprop-2-enoate
CID 23717933
europium(2+);bis(3-phenylprop-2-enoate)
CID 173196474
lithium 3-phenylprop-2-enoate
CID 67041801

Frequently Asked Questions

What is the IUPAC name of (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride?
The IUPAC name of (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride (CID 90280186) is (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride?
The canonical SMILES for (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride is ON=C(Cl)/C=C\c1ccccc1.
What is the InChIKey of (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride?
The InChIKey is PJTPQUZVZPDJOB-QBGIDEBTSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-9(11-12)7-6-8-4-2-1-3-5-8/h1-7,12H/b7-6-,11-9?.
What are the key properties of (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride?
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride 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 (Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride is sourced from PubChem (CID 90280186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).