N-(3-chloropropyl)hydroxylamine

C3H8ClNO — CID 18423989

IUPACN-(3-chloropropyl)hydroxylamine
SMILESONCCCCl
InChIInChI=1S/C3H8ClNO/c4-2-1-3-5-6/h5-6H,1-3H2
InChIKeyUJLZOLQDHYDIQU-UHFFFAOYSA-N
MW109.56 g/mol
LogP0.59
Rot. Bonds3

About N-(3-chloropropyl)hydroxylamine

N-(3-chloropropyl)hydroxylamine (PubChem CID 18423989) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is N-(3-chloropropyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-chloropropyl)hydroxylamine
PubChem CID18423989
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC NameN-(3-chloropropyl)hydroxylamine
SMILESONCCCCl
InChIInChI=1S/C3H8ClNO/c4-2-1-3-5-6/h5-6H,1-3H2
InChIKeyUJLZOLQDHYDIQU-UHFFFAOYSA-N
XLogP0.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-chloropropyl)hydroxylamine?
The IUPAC name of N-(3-chloropropyl)hydroxylamine (CID 18423989) is N-(3-chloropropyl)hydroxylamine.
What is the SMILES notation for N-(3-chloropropyl)hydroxylamine?
The canonical SMILES for N-(3-chloropropyl)hydroxylamine is ONCCCCl.
What is the InChIKey of N-(3-chloropropyl)hydroxylamine?
The InChIKey is UJLZOLQDHYDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO/c4-2-1-3-5-6/h5-6H,1-3H2.
What are the key properties of N-(3-chloropropyl)hydroxylamine?
N-(3-chloropropyl)hydroxylamine has a molecular weight of 109.56 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)hydroxylamine is sourced from PubChem (CID 18423989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).