3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile

C11H19N3 — CID 62273055

IUPAC3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile
SMILESN#CCCN1CCCC1C1CCCN1
InChIInChI=1S/C11H19N3/c12-6-3-9-14-8-2-5-11(14)10-4-1-7-13-10/h10-11,13H,1-5,7-9H2
InChIKeySEODRLYNEXOTTR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.12
Rot. Bonds3

About 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile

3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile (PubChem CID 62273055) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile
PubChem CID62273055
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile
SMILESN#CCCN1CCCC1C1CCCN1
InChIInChI=1S/C11H19N3/c12-6-3-9-14-8-2-5-11(14)10-4-1-7-13-10/h10-11,13H,1-5,7-9H2
InChIKeySEODRLYNEXOTTR-UHFFFAOYSA-N
XLogP1.12
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
CID 82892557
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62273352
1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62275280
2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
CID 62272890
1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62273039
2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine
CID 107133151
N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62325407
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 82850475
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 62274768
2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile?
The IUPAC name of 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile (CID 62273055) is 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile is N#CCCN1CCCC1C1CCCN1.
What is the InChIKey of 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile?
The InChIKey is SEODRLYNEXOTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-6-3-9-14-8-2-5-11(14)10-4-1-7-13-10/h10-11,13H,1-5,7-9H2.
What are the key properties of 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile?
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile has a molecular weight of 193.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 62273055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).