(NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine

C6H12N2O — CID 22123523

IUPAC(NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine
SMILESC=CCNCC/C=N/O
InChIInChI=1S/C6H12N2O/c1-2-4-7-5-3-6-8-9/h2,6-7,9H,1,3-5H2/b8-6+
InChIKeyZPVIEOATXKGHJL-SOFGYWHQSA-N
MW128.17 g/mol
LogP0.61
Rot. Bonds5

About (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine

(NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine (PubChem CID 22123523) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine
PubChem CID22123523
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine
SMILESC=CCNCC/C=N/O
InChIInChI=1S/C6H12N2O/c1-2-4-7-5-3-6-8-9/h2,6-7,9H,1,3-5H2/b8-6+
InChIKeyZPVIEOATXKGHJL-SOFGYWHQSA-N
XLogP0.61
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[3-(prop-2-enylamino)propylidene]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-[3-(prop-2-enylamino)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine (CID 22123523) is (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine is C=CCNCC/C=N/O.
What is the InChIKey of (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine?
The InChIKey is ZPVIEOATXKGHJL-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-4-7-5-3-6-8-9/h2,6-7,9H,1,3-5H2/b8-6+.
What are the key properties of (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine?
(NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine has a molecular weight of 128.17 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine is sourced from PubChem (CID 22123523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).