5-nitrosodecane

C10H21NO — CID 10931874

IUPAC5-nitrosodecane
SMILESCCCCCC(CCCC)N=O
InChIInChI=1S/C10H21NO/c1-3-5-7-9-10(11-12)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyIQPYXEGHXVKLML-UHFFFAOYSA-N
MW171.28 g/mol
LogP3.89
Rot. Bonds8

About 5-nitrosodecane

5-nitrosodecane (PubChem CID 10931874) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-nitrosodecane.

Molecular Properties

Compound Name5-nitrosodecane
PubChem CID10931874
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-nitrosodecane
SMILESCCCCCC(CCCC)N=O
InChIInChI=1S/C10H21NO/c1-3-5-7-9-10(11-12)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyIQPYXEGHXVKLML-UHFFFAOYSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitrosodecane?
The IUPAC name of 5-nitrosodecane (CID 10931874) is 5-nitrosodecane.
What is the SMILES notation for 5-nitrosodecane?
The canonical SMILES for 5-nitrosodecane is CCCCCC(CCCC)N=O.
What is the InChIKey of 5-nitrosodecane?
The InChIKey is IQPYXEGHXVKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-7-9-10(11-12)8-6-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 5-nitrosodecane?
5-nitrosodecane has a molecular weight of 171.28 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrosodecane is sourced from PubChem (CID 10931874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).