N-hydroxy-2-phenylpropanimidoyl chloride

C9H10ClNO — CID 75091043

IUPACN-hydroxy-2-phenylpropanimidoyl chloride
SMILESCC(C(Cl)=NO)c1ccccc1
InChIInChI=1S/C9H10ClNO/c1-7(9(10)11-12)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyWKRUOJKGTYQELS-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.82
Rot. Bonds2

About N-hydroxy-2-phenylpropanimidoyl chloride

N-hydroxy-2-phenylpropanimidoyl chloride (PubChem CID 75091043) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-hydroxy-2-phenylpropanimidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-2-phenylpropanimidoyl chloride
PubChem CID75091043
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-hydroxy-2-phenylpropanimidoyl chloride
SMILESCC(C(Cl)=NO)c1ccccc1
InChIInChI=1S/C9H10ClNO/c1-7(9(10)11-12)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyWKRUOJKGTYQELS-UHFFFAOYSA-N
XLogP2.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.82
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

(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride
CID 106892063
N-(1,4-diphenylpentan-3-ylidene)hydroxylamine
CID 71320973
(3R)-3-phenylbut-1-en-2-ol
CID 89028601
(1E,2S)-N-hydroxy-2-(3-methoxyphenyl)-2-phenylethanimidoyl chloride
CID 98846999
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
cumene;hydrogen peroxide
CID 21225480
2,3-dimethyl-4-phenylpent-2-en-1-ol
CID 123406517
3-fluorobut-3-en-2-ylbenzene
CID 54351405
N'-hydroxy-2-[[(1S)-1-phenylethyl]amino]propanimidamide
CID 78992213

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-phenylpropanimidoyl chloride?
The IUPAC name of N-hydroxy-2-phenylpropanimidoyl chloride (CID 75091043) is N-hydroxy-2-phenylpropanimidoyl chloride.
What is the SMILES notation for N-hydroxy-2-phenylpropanimidoyl chloride?
The canonical SMILES for N-hydroxy-2-phenylpropanimidoyl chloride is CC(C(Cl)=NO)c1ccccc1.
What is the InChIKey of N-hydroxy-2-phenylpropanimidoyl chloride?
The InChIKey is WKRUOJKGTYQELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7(9(10)11-12)8-5-3-2-4-6-8/h2-7,12H,1H3.
What are the key properties of N-hydroxy-2-phenylpropanimidoyl chloride?
N-hydroxy-2-phenylpropanimidoyl chloride has a molecular weight of 183.64 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenylpropanimidoyl chloride is sourced from PubChem (CID 75091043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).