3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile

C11H20N2 — CID 170709237

IUPAC3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile
SMILESCC(C)C1(C)CCN(CCC#N)C1
InChIInChI=1S/C11H20N2/c1-10(2)11(3)5-8-13(9-11)7-4-6-12/h10H,4-5,7-9H2,1-3H3
InChIKeyXGPOVQSTYUQTLJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.27
Rot. Bonds3

About 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile

3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile (PubChem CID 170709237) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile
PubChem CID170709237
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile
SMILESCC(C)C1(C)CCN(CCC#N)C1
InChIInChI=1S/C11H20N2/c1-10(2)11(3)5-8-13(9-11)7-4-6-12/h10H,4-5,7-9H2,1-3H3
InChIKeyXGPOVQSTYUQTLJ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile?
The IUPAC name of 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile (CID 170709237) is 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile is CC(C)C1(C)CCN(CCC#N)C1.
What is the InChIKey of 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile?
The InChIKey is XGPOVQSTYUQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)11(3)5-8-13(9-11)7-4-6-12/h10H,4-5,7-9H2,1-3H3.
What are the key properties of 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile?
3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-3-propan-2-ylpyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 170709237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).