(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine

C10H13NO — CID 91619623

IUPAC(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(C)cc1)=N/O
InChIInChI=1S/C10H13NO/c1-8-3-5-10(6-4-8)7-9(2)11-12/h3-6,12H,7H2,1-2H3/b11-9-
InChIKeyQENZFBIAQUGNPJ-LUAWRHEFSA-N
MW163.22 g/mol
LogP2.39
Rot. Bonds2

About (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine

(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 91619623) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
PubChem CID91619623
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(C)cc1)=N/O
InChIInChI=1S/C10H13NO/c1-8-3-5-10(6-4-8)7-9(2)11-12/h3-6,12H,7H2,1-2H3/b11-9-
InChIKeyQENZFBIAQUGNPJ-LUAWRHEFSA-N
XLogP2.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.39
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-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
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N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
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(NE)-N-[1-(4-phenylphenyl)propan-2-ylidene]hydroxylamine
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(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
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(1Z)-N-hydroxy-2-(4-methylphenyl)ethanimidoyl chloride
CID 170746070
N-[1-(4-methylsulfonylphenyl)propan-2-ylidene]hydroxylamine
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(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine
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N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
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(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
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CID 55250616

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine (CID 91619623) is (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(C)cc1)=N/O.
What is the InChIKey of (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is QENZFBIAQUGNPJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-3-5-10(6-4-8)7-9(2)11-12/h3-6,12H,7H2,1-2H3/b11-9-.
What are the key properties of (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 91619623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).