N-(1-iminopropan-2-ylidene)hydroxylamine

C3H6N2O — CID 140984179

IUPACN-(1-iminopropan-2-ylidene)hydroxylamine
SMILES[H]/N=C/C(C)=NO
InChIInChI=1S/C3H6N2O/c1-3(2-4)5-6/h2,4,6H,1H3/b4-2+,5-3?
InChIKeyFHZBAGNGGANPEA-HKCOAVLJSA-N
MW86.09 g/mol
LogP0.49
Rot. Bonds1

About N-(1-iminopropan-2-ylidene)hydroxylamine

N-(1-iminopropan-2-ylidene)hydroxylamine (PubChem CID 140984179) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is N-(1-iminopropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-iminopropan-2-ylidene)hydroxylamine
PubChem CID140984179
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC NameN-(1-iminopropan-2-ylidene)hydroxylamine
SMILES[H]/N=C/C(C)=NO
InChIInChI=1S/C3H6N2O/c1-3(2-4)5-6/h2,4,6H,1H3/b4-2+,5-3?
InChIKeyFHZBAGNGGANPEA-HKCOAVLJSA-N
XLogP0.49
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.49
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 N-(1-iminopropan-2-ylidene)hydroxylamine?
The IUPAC name of N-(1-iminopropan-2-ylidene)hydroxylamine (CID 140984179) is N-(1-iminopropan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-iminopropan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1-iminopropan-2-ylidene)hydroxylamine is [H]/N=C/C(C)=NO.
What is the InChIKey of N-(1-iminopropan-2-ylidene)hydroxylamine?
The InChIKey is FHZBAGNGGANPEA-HKCOAVLJSA-N. The full InChI is InChI=1S/C3H6N2O/c1-3(2-4)5-6/h2,4,6H,1H3/b4-2+,5-3?.
What are the key properties of N-(1-iminopropan-2-ylidene)hydroxylamine?
N-(1-iminopropan-2-ylidene)hydroxylamine has a molecular weight of 86.09 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iminopropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 140984179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).