(NE)-N-(3-aminopropylidene)hydroxylamine

C3H8N2O — CID 58684999

IUPAC(NE)-N-(3-aminopropylidene)hydroxylamine
SMILESNCC/C=N/O
InChIInChI=1S/C3H8N2O/c4-2-1-3-5-6/h3,6H,1-2,4H2/b5-3+
InChIKeyOKODGBONVLEJGG-HWKANZROSA-N
MW88.11 g/mol
LogP-0.20
Rot. Bonds2

About (NE)-N-(3-aminopropylidene)hydroxylamine

(NE)-N-(3-aminopropylidene)hydroxylamine (PubChem CID 58684999) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is (NE)-N-(3-aminopropylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-aminopropylidene)hydroxylamine
PubChem CID58684999
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name(NE)-N-(3-aminopropylidene)hydroxylamine
SMILESNCC/C=N/O
InChIInChI=1S/C3H8N2O/c4-2-1-3-5-6/h3,6H,1-2,4H2/b5-3+
InChIKeyOKODGBONVLEJGG-HWKANZROSA-N
XLogP-0.20
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-aminopropylidene)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-aminopropylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-aminopropylidene)hydroxylamine (CID 58684999) is (NE)-N-(3-aminopropylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-aminopropylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-aminopropylidene)hydroxylamine is NCC/C=N/O.
What is the InChIKey of (NE)-N-(3-aminopropylidene)hydroxylamine?
The InChIKey is OKODGBONVLEJGG-HWKANZROSA-N. The full InChI is InChI=1S/C3H8N2O/c4-2-1-3-5-6/h3,6H,1-2,4H2/b5-3+.
What are the key properties of (NE)-N-(3-aminopropylidene)hydroxylamine?
(NE)-N-(3-aminopropylidene)hydroxylamine has a molecular weight of 88.11 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-aminopropylidene)hydroxylamine is sourced from PubChem (CID 58684999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).