2,3-dimethyl-1-nitrosopentane

C7H15NO — CID 146748606

IUPAC2,3-dimethyl-1-nitrosopentane
SMILESCCC(C)C(C)CN=O
InChIInChI=1S/C7H15NO/c1-4-6(2)7(3)5-8-9/h6-7H,4-5H2,1-3H3
InChIKeyKTOIOYBQLCZURL-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.43
Rot. Bonds4

About 2,3-dimethyl-1-nitrosopentane

2,3-dimethyl-1-nitrosopentane (PubChem CID 146748606) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,3-dimethyl-1-nitrosopentane.

Molecular Properties

Compound Name2,3-dimethyl-1-nitrosopentane
PubChem CID146748606
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,3-dimethyl-1-nitrosopentane
SMILESCCC(C)C(C)CN=O
InChIInChI=1S/C7H15NO/c1-4-6(2)7(3)5-8-9/h6-7H,4-5H2,1-3H3
InChIKeyKTOIOYBQLCZURL-UHFFFAOYSA-N
XLogP2.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-1-nitrosopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-nitrosopentane?
The IUPAC name of 2,3-dimethyl-1-nitrosopentane (CID 146748606) is 2,3-dimethyl-1-nitrosopentane.
What is the SMILES notation for 2,3-dimethyl-1-nitrosopentane?
The canonical SMILES for 2,3-dimethyl-1-nitrosopentane is CCC(C)C(C)CN=O.
What is the InChIKey of 2,3-dimethyl-1-nitrosopentane?
The InChIKey is KTOIOYBQLCZURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(2)7(3)5-8-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-nitrosopentane?
2,3-dimethyl-1-nitrosopentane has a molecular weight of 129.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-nitrosopentane is sourced from PubChem (CID 146748606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).