N-(5-nitrosopentyl)hydroxylamine

C5H12N2O2 — CID 87416529

IUPACN-(5-nitrosopentyl)hydroxylamine
SMILESO=NCCCCCNO
InChIInChI=1S/C5H12N2O2/c8-6-4-2-1-3-5-7-9/h6,8H,1-5H2
InChIKeyKIISNWLLTPSCQP-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.90
Rot. Bonds6

About N-(5-nitrosopentyl)hydroxylamine

N-(5-nitrosopentyl)hydroxylamine (PubChem CID 87416529) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is N-(5-nitrosopentyl)hydroxylamine.

Molecular Properties

Compound NameN-(5-nitrosopentyl)hydroxylamine
PubChem CID87416529
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC NameN-(5-nitrosopentyl)hydroxylamine
SMILESO=NCCCCCNO
InChIInChI=1S/C5H12N2O2/c8-6-4-2-1-3-5-7-9/h6,8H,1-5H2
InChIKeyKIISNWLLTPSCQP-UHFFFAOYSA-N
XLogP0.90
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(5-nitrosopentyl)hydroxylamine?
The IUPAC name of N-(5-nitrosopentyl)hydroxylamine (CID 87416529) is N-(5-nitrosopentyl)hydroxylamine.
What is the SMILES notation for N-(5-nitrosopentyl)hydroxylamine?
The canonical SMILES for N-(5-nitrosopentyl)hydroxylamine is O=NCCCCCNO.
What is the InChIKey of N-(5-nitrosopentyl)hydroxylamine?
The InChIKey is KIISNWLLTPSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c8-6-4-2-1-3-5-7-9/h6,8H,1-5H2.
What are the key properties of N-(5-nitrosopentyl)hydroxylamine?
N-(5-nitrosopentyl)hydroxylamine has a molecular weight of 132.16 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitrosopentyl)hydroxylamine is sourced from PubChem (CID 87416529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).