(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine

C11H15NO — CID 12707912

IUPAC(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
SMILESCCC/C(=N\O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO/c1-3-4-11(12-13)10-7-5-9(2)6-8-10/h5-8,13H,3-4H2,1-2H3/b12-11+
InChIKeyFPLHNGGABOAXNW-VAWYXSNFSA-N
MW177.25 g/mol
LogP2.97
Rot. Bonds3

About (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine

(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine (PubChem CID 12707912) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
PubChem CID12707912
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
SMILESCCC/C(=N\O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO/c1-3-4-11(12-13)10-7-5-9(2)6-8-10/h5-8,13H,3-4H2,1-2H3/b12-11+
InChIKeyFPLHNGGABOAXNW-VAWYXSNFSA-N
XLogP2.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.97
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-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 85344533
(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 102550852
(NZ)-N-[4-methyl-1-(4-methylphenyl)pent-3-enylidene]hydroxylamine
CID 177415583
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
CID 136913036
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
N-(1-pyridin-4-ylpentylidene)hydroxylamine
CID 154164009
(4E)-4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 22992451

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine (CID 12707912) is (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine is CCC/C(=N\O)c1ccc(C)cc1.
What is the InChIKey of (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine?
The InChIKey is FPLHNGGABOAXNW-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-4-11(12-13)10-7-5-9(2)6-8-10/h5-8,13H,3-4H2,1-2H3/b12-11+.
What are the key properties of (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine?
(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine is sourced from PubChem (CID 12707912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).