2-pyrrolidin-1-ylpropanenitrile

C7H12N2 — CID 12510991

IUPAC2-pyrrolidin-1-ylpropanenitrile
SMILESCC(C#N)N1CCCC1
InChIInChI=1S/C7H12N2/c1-7(6-8)9-4-2-3-5-9/h7H,2-5H2,1H3
InChIKeyDCDYFOMXDLNINX-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.99
Rot. Bonds1

About 2-pyrrolidin-1-ylpropanenitrile

2-pyrrolidin-1-ylpropanenitrile (PubChem CID 12510991) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpropanenitrile
PubChem CID12510991
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-pyrrolidin-1-ylpropanenitrile
SMILESCC(C#N)N1CCCC1
InChIInChI=1S/C7H12N2/c1-7(6-8)9-4-2-3-5-9/h7H,2-5H2,1H3
InChIKeyDCDYFOMXDLNINX-UHFFFAOYSA-N
XLogP0.99
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of 2-pyrrolidin-1-ylpropanenitrile (CID 12510991) is 2-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for 2-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for 2-pyrrolidin-1-ylpropanenitrile is CC(C#N)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpropanenitrile?
The InChIKey is DCDYFOMXDLNINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(6-8)9-4-2-3-5-9/h7H,2-5H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylpropanenitrile?
2-pyrrolidin-1-ylpropanenitrile has a molecular weight of 124.19 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 12510991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).