N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine

C10H13NO — CID 72739618

IUPACN-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine
SMILESCc1cc(C)c(C=NO)cc1C
InChIInChI=1S/C10H13NO/c1-7-4-9(3)10(6-11-12)5-8(7)2/h4-6,12H,1-3H3
InChIKeyVKVOHEWMMQBPMJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.42
Rot. Bonds1

About N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine

N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine (PubChem CID 72739618) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine
PubChem CID72739618
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine
SMILESCc1cc(C)c(C=NO)cc1C
InChIInChI=1S/C10H13NO/c1-7-4-9(3)10(6-11-12)5-8(7)2/h4-6,12H,1-3H3
InChIKeyVKVOHEWMMQBPMJ-UHFFFAOYSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.42
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

Terephthalaldehyde dioxime
CID 135482632
(NE)-N-[(3,4-diphenylphenyl)methylidene]hydroxylamine
CID 11780703
2-Naphthaldehyde oxime
CID 9563142
4-Methylbenzaldehyde oxime
CID 5372131
N-((2-methylphenyl)methylidene)hydroxylamine
CID 6904185
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
CID 142575040
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methylidene]hydroxylamine
CID 142575088
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine
CID 142575120
N-{[2-(trifluoromethyl)phenyl]methylidene}hydroxylamine
CID 6868090
(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine
CID 142575031
(e)-2-(4-(t-Butyl)phenyl)cyclopent-1-ene-1-carbaldehyde oxime
CID 142575074
4-(1-Methylethyl)benzaldehyde oxime
CID 96358

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine (CID 72739618) is N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine is Cc1cc(C)c(C=NO)cc1C.
What is the InChIKey of N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine?
The InChIKey is VKVOHEWMMQBPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-4-9(3)10(6-11-12)5-8(7)2/h4-6,12H,1-3H3.
What are the key properties of N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine?
N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 72739618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).