(NE)-N-(2-aminopropylidene)hydroxylamine

C3H8N2O — CID 58684632

IUPAC(NE)-N-(2-aminopropylidene)hydroxylamine
SMILESCC(N)/C=N/O
InChIInChI=1S/C3H8N2O/c1-3(4)2-5-6/h2-3,6H,4H2,1H3/b5-2+
InChIKeyPONWVQAVGORTAZ-GORDUTHDSA-N
MW88.11 g/mol
LogP-0.21
Rot. Bonds1

About (NE)-N-(2-aminopropylidene)hydroxylamine

(NE)-N-(2-aminopropylidene)hydroxylamine (PubChem CID 58684632) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is (NE)-N-(2-aminopropylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-aminopropylidene)hydroxylamine
PubChem CID58684632
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name(NE)-N-(2-aminopropylidene)hydroxylamine
SMILESCC(N)/C=N/O
InChIInChI=1S/C3H8N2O/c1-3(4)2-5-6/h2-3,6H,4H2,1H3/b5-2+
InChIKeyPONWVQAVGORTAZ-GORDUTHDSA-N
XLogP-0.21
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.21
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-aminopropylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-aminopropylidene)hydroxylamine (CID 58684632) is (NE)-N-(2-aminopropylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-aminopropylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-aminopropylidene)hydroxylamine is CC(N)/C=N/O.
What is the InChIKey of (NE)-N-(2-aminopropylidene)hydroxylamine?
The InChIKey is PONWVQAVGORTAZ-GORDUTHDSA-N. The full InChI is InChI=1S/C3H8N2O/c1-3(4)2-5-6/h2-3,6H,4H2,1H3/b5-2+.
What are the key properties of (NE)-N-(2-aminopropylidene)hydroxylamine?
(NE)-N-(2-aminopropylidene)hydroxylamine has a molecular weight of 88.11 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-aminopropylidene)hydroxylamine is sourced from PubChem (CID 58684632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).