3-methyl-2-pyrrolidin-1-ylbutanenitrile

C9H16N2 — CID 13464691

IUPAC3-methyl-2-pyrrolidin-1-ylbutanenitrile
SMILESCC(C)C(C#N)N1CCCC1
InChIInChI=1S/C9H16N2/c1-8(2)9(7-10)11-5-3-4-6-11/h8-9H,3-6H2,1-2H3
InChIKeyUCPLLNRYKAWAQN-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds2

About 3-methyl-2-pyrrolidin-1-ylbutanenitrile

3-methyl-2-pyrrolidin-1-ylbutanenitrile (PubChem CID 13464691) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyl-2-pyrrolidin-1-ylbutanenitrile.

Molecular Properties

Compound Name3-methyl-2-pyrrolidin-1-ylbutanenitrile
PubChem CID13464691
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-methyl-2-pyrrolidin-1-ylbutanenitrile
SMILESCC(C)C(C#N)N1CCCC1
InChIInChI=1S/C9H16N2/c1-8(2)9(7-10)11-5-3-4-6-11/h8-9H,3-6H2,1-2H3
InChIKeyUCPLLNRYKAWAQN-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-pyrrolidin-1-ylbutanenitrile 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 3-methyl-2-pyrrolidin-1-ylbutanenitrile?
The IUPAC name of 3-methyl-2-pyrrolidin-1-ylbutanenitrile (CID 13464691) is 3-methyl-2-pyrrolidin-1-ylbutanenitrile.
What is the SMILES notation for 3-methyl-2-pyrrolidin-1-ylbutanenitrile?
The canonical SMILES for 3-methyl-2-pyrrolidin-1-ylbutanenitrile is CC(C)C(C#N)N1CCCC1.
What is the InChIKey of 3-methyl-2-pyrrolidin-1-ylbutanenitrile?
The InChIKey is UCPLLNRYKAWAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)9(7-10)11-5-3-4-6-11/h8-9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-2-pyrrolidin-1-ylbutanenitrile?
3-methyl-2-pyrrolidin-1-ylbutanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyrrolidin-1-ylbutanenitrile is sourced from PubChem (CID 13464691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).