(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride

C10H12ClNO — CID 106892063

IUPAC(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride
SMILESCC(C/C(Cl)=N/O)c1ccccc1
InChIInChI=1S/C10H12ClNO/c1-8(7-10(11)12-13)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3/b12-10-
InChIKeyTZVXPQKTHVONML-BENRWUELSA-N
MW197.67 g/mol
LogP3.21
Rot. Bonds3

About (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride

(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride (PubChem CID 106892063) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride
PubChem CID106892063
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride
SMILESCC(C/C(Cl)=N/O)c1ccccc1
InChIInChI=1S/C10H12ClNO/c1-8(7-10(11)12-13)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3/b12-10-
InChIKeyTZVXPQKTHVONML-BENRWUELSA-N
XLogP3.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 53.21
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

N-hydroxy-2-phenylpropanimidoyl chloride
CID 75091043
(3S)-3-phenylbutanoate
CID 6950118
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol
CID 155745969
3-phenylbutane-1,1-diol
CID 18417931
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
4-chlorobutan-2-ylbenzene
CID 570466
2,3-dimethyl-4-oxo-6-phenylheptanoic acid
CID 79414107
N-(2-methyl-4-phenylpentylidene)hydroxylamine
CID 88619185

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride (CID 106892063) is (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride is CC(C/C(Cl)=N/O)c1ccccc1.
What is the InChIKey of (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride?
The InChIKey is TZVXPQKTHVONML-BENRWUELSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-8(7-10(11)12-13)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3/b12-10-.
What are the key properties of (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride?
(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride has a molecular weight of 197.67 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-3-phenylbutanimidoyl chloride is sourced from PubChem (CID 106892063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).