2-(1-propylpyrrolidin-3-yl)acetonitrile

C9H16N2 — CID 66545592

IUPAC2-(1-propylpyrrolidin-3-yl)acetonitrile
SMILESCCCN1CCC(CC#N)C1
InChIInChI=1S/C9H16N2/c1-2-6-11-7-4-9(8-11)3-5-10/h9H,2-4,6-8H2,1H3
InChIKeyHLJHBBKTTPTFMX-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-propylpyrrolidin-3-yl)acetonitrile

2-(1-propylpyrrolidin-3-yl)acetonitrile (PubChem CID 66545592) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(1-propylpyrrolidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-propylpyrrolidin-3-yl)acetonitrile
PubChem CID66545592
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(1-propylpyrrolidin-3-yl)acetonitrile
SMILESCCCN1CCC(CC#N)C1
InChIInChI=1S/C9H16N2/c1-2-6-11-7-4-9(8-11)3-5-10/h9H,2-4,6-8H2,1H3
InChIKeyHLJHBBKTTPTFMX-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrrolidin-3-yl)acetonitrile?
The IUPAC name of 2-(1-propylpyrrolidin-3-yl)acetonitrile (CID 66545592) is 2-(1-propylpyrrolidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-propylpyrrolidin-3-yl)acetonitrile?
The canonical SMILES for 2-(1-propylpyrrolidin-3-yl)acetonitrile is CCCN1CCC(CC#N)C1.
What is the InChIKey of 2-(1-propylpyrrolidin-3-yl)acetonitrile?
The InChIKey is HLJHBBKTTPTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-6-11-7-4-9(8-11)3-5-10/h9H,2-4,6-8H2,1H3.
What are the key properties of 2-(1-propylpyrrolidin-3-yl)acetonitrile?
2-(1-propylpyrrolidin-3-yl)acetonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrrolidin-3-yl)acetonitrile is sourced from PubChem (CID 66545592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).