N-[(3-cyclopropylphenyl)methylidene]hydroxylamine

C10H11NO — CID 79977457

IUPACN-[(3-cyclopropylphenyl)methylidene]hydroxylamine
SMILESON=Cc1cccc(C2CC2)c1
InChIInChI=1S/C10H11NO/c12-11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6-7,9,12H,4-5H2
InChIKeyQEZGXYHVOYDVNF-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.37
Rot. Bonds2

About N-[(3-cyclopropylphenyl)methylidene]hydroxylamine

N-[(3-cyclopropylphenyl)methylidene]hydroxylamine (PubChem CID 79977457) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methylidene]hydroxylamine
PubChem CID79977457
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-[(3-cyclopropylphenyl)methylidene]hydroxylamine
SMILESON=Cc1cccc(C2CC2)c1
InChIInChI=1S/C10H11NO/c12-11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6-7,9,12H,4-5H2
InChIKeyQEZGXYHVOYDVNF-UHFFFAOYSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-cyclopropylphenyl)methylidene]hydroxylamine (CID 79977457) is N-[(3-cyclopropylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methylidene]hydroxylamine is ON=Cc1cccc(C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methylidene]hydroxylamine?
The InChIKey is QEZGXYHVOYDVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6-7,9,12H,4-5H2.
What are the key properties of N-[(3-cyclopropylphenyl)methylidene]hydroxylamine?
N-[(3-cyclopropylphenyl)methylidene]hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 79977457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).