N-(3-nitropropyl)hydroxylamine

C3H8N2O3 — CID 10396830

IUPACN-(3-nitropropyl)hydroxylamine
SMILESO=[N+]([O-])CCCNO
InChIInChI=1S/C3H8N2O3/c6-4-2-1-3-5(7)8/h4,6H,1-3H2
InChIKeyZOBFJCSICRMOBL-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.37
Rot. Bonds4

About N-(3-nitropropyl)hydroxylamine

N-(3-nitropropyl)hydroxylamine (PubChem CID 10396830) has the molecular formula C3H8N2O3 and a molecular weight of 120.11 g/mol. Its IUPAC name is N-(3-nitropropyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-nitropropyl)hydroxylamine
PubChem CID10396830
Molecular FormulaC3H8N2O3
Molecular Weight120.11 g/mol
Exact Mass120.05
IUPAC NameN-(3-nitropropyl)hydroxylamine
SMILESO=[N+]([O-])CCCNO
InChIInChI=1S/C3H8N2O3/c6-4-2-1-3-5(7)8/h4,6H,1-3H2
InChIKeyZOBFJCSICRMOBL-UHFFFAOYSA-N
XLogP-0.37
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(3-nitropropyl)hydroxylamine?
The IUPAC name of N-(3-nitropropyl)hydroxylamine (CID 10396830) is N-(3-nitropropyl)hydroxylamine.
What is the SMILES notation for N-(3-nitropropyl)hydroxylamine?
The canonical SMILES for N-(3-nitropropyl)hydroxylamine is O=[N+]([O-])CCCNO.
What is the InChIKey of N-(3-nitropropyl)hydroxylamine?
The InChIKey is ZOBFJCSICRMOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3/c6-4-2-1-3-5(7)8/h4,6H,1-3H2.
What are the key properties of N-(3-nitropropyl)hydroxylamine?
N-(3-nitropropyl)hydroxylamine has a molecular weight of 120.11 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitropropyl)hydroxylamine is sourced from PubChem (CID 10396830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).