3-methylpentanenitrile

C6H11N — CID 11829373

IUPAC3-methylpentanenitrile
SMILESCCC(C)CC#N
InChIInChI=1S/C6H11N/c1-3-6(2)4-5-7/h6H,3-4H2,1-2H3
InChIKeyMMRQLDRBAXLMRH-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.95
Rot. Bonds2

About 3-methylpentanenitrile

3-methylpentanenitrile (PubChem CID 11829373) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-methylpentanenitrile.

Molecular Properties

Compound Name3-methylpentanenitrile
PubChem CID11829373
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-methylpentanenitrile
SMILESCCC(C)CC#N
InChIInChI=1S/C6H11N/c1-3-6(2)4-5-7/h6H,3-4H2,1-2H3
InChIKeyMMRQLDRBAXLMRH-UHFFFAOYSA-N
XLogP1.95
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentanenitrile?
The IUPAC name of 3-methylpentanenitrile (CID 11829373) is 3-methylpentanenitrile.
What is the SMILES notation for 3-methylpentanenitrile?
The canonical SMILES for 3-methylpentanenitrile is CCC(C)CC#N.
What is the InChIKey of 3-methylpentanenitrile?
The InChIKey is MMRQLDRBAXLMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-3-6(2)4-5-7/h6H,3-4H2,1-2H3.
What are the key properties of 3-methylpentanenitrile?
3-methylpentanenitrile has a molecular weight of 97.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentanenitrile is sourced from PubChem (CID 11829373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).