(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine

C10H11NO — CID 15033296

IUPAC(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
SMILESC/C=C/c1ccccc1/C=N/O
InChIInChI=1S/C10H11NO/c1-2-5-9-6-3-4-7-10(9)8-11-12/h2-8,12H,1H3/b5-2+,11-8+
InChIKeyKDOJQLYZMUVZSZ-HUOYTUHQSA-N
MW161.20 g/mol
LogP2.53
Rot. Bonds2

About (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine

(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine (PubChem CID 15033296) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
PubChem CID15033296
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
SMILESC/C=C/c1ccccc1/C=N/O
InChIInChI=1S/C10H11NO/c1-2-5-9-6-3-4-7-10(9)8-11-12/h2-8,12H,1H3/b5-2+,11-8+
InChIKeyKDOJQLYZMUVZSZ-HUOYTUHQSA-N
XLogP2.53
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 ≤ 52.53
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'}

Analyze (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine (CID 15033296) is (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine is C/C=C/c1ccccc1/C=N/O.
What is the InChIKey of (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine?
The InChIKey is KDOJQLYZMUVZSZ-HUOYTUHQSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-5-9-6-3-4-7-10(9)8-11-12/h2-8,12H,1H3/b5-2+,11-8+.
What are the key properties of (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine?
(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 15033296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).