3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile

C11H20N2 — CID 83227916

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile
SMILESCCC1CCC(C)N1C(C)CC#N
InChIInChI=1S/C11H20N2/c1-4-11-6-5-9(2)13(11)10(3)7-8-12/h9-11H,4-7H2,1-3H3
InChIKeyFATJRENNHFQCGY-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds3

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile

3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile (PubChem CID 83227916) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile
PubChem CID83227916
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile
SMILESCCC1CCC(C)N1C(C)CC#N
InChIInChI=1S/C11H20N2/c1-4-11-6-5-9(2)13(11)10(3)7-8-12/h9-11H,4-7H2,1-3H3
InChIKeyFATJRENNHFQCGY-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile (CID 83227916) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile is CCC1CCC(C)N1C(C)CC#N.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile?
The InChIKey is FATJRENNHFQCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-11-6-5-9(2)13(11)10(3)7-8-12/h9-11H,4-7H2,1-3H3.
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile?
3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile is sourced from PubChem (CID 83227916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).