N-(4-nitrobutyl)hydroxylamine

C4H10N2O3 — CID 11819122

IUPACN-(4-nitrobutyl)hydroxylamine
SMILESO=[N+]([O-])CCCCNO
InChIInChI=1S/C4H10N2O3/c7-5-3-1-2-4-6(8)9/h5,7H,1-4H2
InChIKeyRXBCWXYNZTUPDM-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.02
Rot. Bonds5

About N-(4-nitrobutyl)hydroxylamine

N-(4-nitrobutyl)hydroxylamine (PubChem CID 11819122) has the molecular formula C4H10N2O3 and a molecular weight of 134.13 g/mol. Its IUPAC name is N-(4-nitrobutyl)hydroxylamine.

Molecular Properties

Compound NameN-(4-nitrobutyl)hydroxylamine
PubChem CID11819122
Molecular FormulaC4H10N2O3
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC NameN-(4-nitrobutyl)hydroxylamine
SMILESO=[N+]([O-])CCCCNO
InChIInChI=1S/C4H10N2O3/c7-5-3-1-2-4-6(8)9/h5,7H,1-4H2
InChIKeyRXBCWXYNZTUPDM-UHFFFAOYSA-N
XLogP0.02
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.02
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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Related Compounds

3-Nitro-1-propylamine
CID 127889
Butylamine, 4,4-dinitro-
CID 151719818
N-fluoro-4-nitrobutan-1-amine
CID 129802300
N-nitrobutylamine
CID 18931601
1-Amino-5-nitro-pentane
CID 18987841
N~1~,N~4~-Dihydroxybutane-1,4-diamine
CID 20567327
5-Nitropentan-1-amine;hydrochloride
CID 134884267
1-Butanamine, nitrate
CID 9812788
N-chloro-N-nitrobutylamine
CID 129802769
N-(5-nitropentyl)hydroxylamine
CID 10057649
N-(3-nitropropyl)hydroxylamine
CID 10396830
N-(6-nitrohexyl)hydroxylamine
CID 10441988

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrobutyl)hydroxylamine?
The IUPAC name of N-(4-nitrobutyl)hydroxylamine (CID 11819122) is N-(4-nitrobutyl)hydroxylamine.
What is the SMILES notation for N-(4-nitrobutyl)hydroxylamine?
The canonical SMILES for N-(4-nitrobutyl)hydroxylamine is O=[N+]([O-])CCCCNO.
What is the InChIKey of N-(4-nitrobutyl)hydroxylamine?
The InChIKey is RXBCWXYNZTUPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c7-5-3-1-2-4-6(8)9/h5,7H,1-4H2.
What are the key properties of N-(4-nitrobutyl)hydroxylamine?
N-(4-nitrobutyl)hydroxylamine has a molecular weight of 134.13 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrobutyl)hydroxylamine is sourced from PubChem (CID 11819122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).