N-[1-(4-methylphenyl)propylidene]hydroxylamine

C10H13NO — CID 7174004

IUPACN-[1-(4-methylphenyl)propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(C)cc1
InChIInChI=1S/C10H13NO/c1-3-10(11-12)9-6-4-8(2)5-7-9/h4-7,12H,3H2,1-2H3
InChIKeyKJRGLBSIKSRFMS-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.58
Rot. Bonds2

About N-[1-(4-methylphenyl)propylidene]hydroxylamine

N-[1-(4-methylphenyl)propylidene]hydroxylamine (PubChem CID 7174004) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propylidene]hydroxylamine
PubChem CID7174004
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-[1-(4-methylphenyl)propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(C)cc1
InChIInChI=1S/C10H13NO/c1-3-10(11-12)9-6-4-8(2)5-7-9/h4-7,12H,3H2,1-2H3
InChIKeyKJRGLBSIKSRFMS-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-[1-(4-methylphenyl)butylidene]hydroxylamine
CID 12707912
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232
N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 85344533
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 102550852
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
(NZ)-N-[4-methyl-1-(4-methylphenyl)pent-3-enylidene]hydroxylamine
CID 177415583
N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine
CID 135541210
2-[1-(4-methylphenyl)propylideneamino]oxyethanol
CID 165345466
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
CID 112589710

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propylidene]hydroxylamine?
The IUPAC name of N-[1-(4-methylphenyl)propylidene]hydroxylamine (CID 7174004) is N-[1-(4-methylphenyl)propylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-methylphenyl)propylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-methylphenyl)propylidene]hydroxylamine is CCC(=NO)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propylidene]hydroxylamine?
The InChIKey is KJRGLBSIKSRFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-10(11-12)9-6-4-8(2)5-7-9/h4-7,12H,3H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)propylidene]hydroxylamine?
N-[1-(4-methylphenyl)propylidene]hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propylidene]hydroxylamine is sourced from PubChem (CID 7174004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).