3-(1-methylpyrrolidin-2-yl)propanenitrile

C8H14N2 — CID 13320618

IUPAC3-(1-methylpyrrolidin-2-yl)propanenitrile
SMILESCN1CCCC1CCC#N
InChIInChI=1S/C8H14N2/c1-10-7-3-5-8(10)4-2-6-9/h8H,2-5,7H2,1H3
InChIKeyMGOLIPUHUVMVNO-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.38
Rot. Bonds2

About 3-(1-methylpyrrolidin-2-yl)propanenitrile

3-(1-methylpyrrolidin-2-yl)propanenitrile (PubChem CID 13320618) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)propanenitrile
PubChem CID13320618
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-(1-methylpyrrolidin-2-yl)propanenitrile
SMILESCN1CCCC1CCC#N
InChIInChI=1S/C8H14N2/c1-10-7-3-5-8(10)4-2-6-9/h8H,2-5,7H2,1H3
InChIKeyMGOLIPUHUVMVNO-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)propanenitrile?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)propanenitrile (CID 13320618) is 3-(1-methylpyrrolidin-2-yl)propanenitrile.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)propanenitrile?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)propanenitrile is CN1CCCC1CCC#N.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)propanenitrile?
The InChIKey is MGOLIPUHUVMVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-7-3-5-8(10)4-2-6-9/h8H,2-5,7H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)propanenitrile?
3-(1-methylpyrrolidin-2-yl)propanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)propanenitrile is sourced from PubChem (CID 13320618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).