N-(5-nitropentyl)hydroxylamine

C5H12N2O3 — CID 10057649

IUPACN-(5-nitropentyl)hydroxylamine
SMILESO=[N+]([O-])CCCCCNO
InChIInChI=1S/C5H12N2O3/c8-6-4-2-1-3-5-7(9)10/h6,8H,1-5H2
InChIKeyREAKAZJQOKKJOV-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.41
Rot. Bonds6

About N-(5-nitropentyl)hydroxylamine

N-(5-nitropentyl)hydroxylamine (PubChem CID 10057649) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is N-(5-nitropentyl)hydroxylamine.

Molecular Properties

Compound NameN-(5-nitropentyl)hydroxylamine
PubChem CID10057649
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC NameN-(5-nitropentyl)hydroxylamine
SMILESO=[N+]([O-])CCCCCNO
InChIInChI=1S/C5H12N2O3/c8-6-4-2-1-3-5-7(9)10/h6,8H,1-5H2
InChIKeyREAKAZJQOKKJOV-UHFFFAOYSA-N
XLogP0.41
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.41
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-(5-nitropentyl)hydroxylamine?
The IUPAC name of N-(5-nitropentyl)hydroxylamine (CID 10057649) is N-(5-nitropentyl)hydroxylamine.
What is the SMILES notation for N-(5-nitropentyl)hydroxylamine?
The canonical SMILES for N-(5-nitropentyl)hydroxylamine is O=[N+]([O-])CCCCCNO.
What is the InChIKey of N-(5-nitropentyl)hydroxylamine?
The InChIKey is REAKAZJQOKKJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c8-6-4-2-1-3-5-7(9)10/h6,8H,1-5H2.
What are the key properties of N-(5-nitropentyl)hydroxylamine?
N-(5-nitropentyl)hydroxylamine has a molecular weight of 148.16 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitropentyl)hydroxylamine is sourced from PubChem (CID 10057649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).