N-(1-phenylpentan-2-ylidene)hydroxylamine

C11H15NO — CID 131860547

IUPACN-(1-phenylpentan-2-ylidene)hydroxylamine
SMILESCCCC(Cc1ccccc1)=NO
InChIInChI=1S/C11H15NO/c1-2-6-11(12-13)9-10-7-4-3-5-8-10/h3-5,7-8,13H,2,6,9H2,1H3
InChIKeyVRWJYNUYTKNMGT-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.86
Rot. Bonds4

About N-(1-phenylpentan-2-ylidene)hydroxylamine

N-(1-phenylpentan-2-ylidene)hydroxylamine (PubChem CID 131860547) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(1-phenylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-phenylpentan-2-ylidene)hydroxylamine
PubChem CID131860547
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(1-phenylpentan-2-ylidene)hydroxylamine
SMILESCCCC(Cc1ccccc1)=NO
InChIInChI=1S/C11H15NO/c1-2-6-11(12-13)9-10-7-4-3-5-8-10/h3-5,7-8,13H,2,6,9H2,1H3
InChIKeyVRWJYNUYTKNMGT-UHFFFAOYSA-N
XLogP2.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.86
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

(4E)-4-hydroxyimino-5-phenylpentanoic acid
CID 6341274
N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline
CID 10333162
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
N,1-diphenylbutan-2-imine
CID 13015455
2-methylidenebutylbenzene
CID 10964655
N'-hydroxy-2-phenylethanimidamide
CID 6074309
(2-phenylacetyl) butanoate
CID 54432060
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
4-benzylhept-3-en-1-yn-3-ol
CID 154056983
(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol
CID 5383436
(E)-1-phenylbut-2-en-2-ol
CID 170790149

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentan-2-ylidene)hydroxylamine?
The IUPAC name of N-(1-phenylpentan-2-ylidene)hydroxylamine (CID 131860547) is N-(1-phenylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-phenylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1-phenylpentan-2-ylidene)hydroxylamine is CCCC(Cc1ccccc1)=NO.
What is the InChIKey of N-(1-phenylpentan-2-ylidene)hydroxylamine?
The InChIKey is VRWJYNUYTKNMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-6-11(12-13)9-10-7-4-3-5-8-10/h3-5,7-8,13H,2,6,9H2,1H3.
What are the key properties of N-(1-phenylpentan-2-ylidene)hydroxylamine?
N-(1-phenylpentan-2-ylidene)hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 131860547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).