1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile

C10H17N3 — CID 164658028

IUPAC1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(CC2CCCN2)C1
InChIInChI=1S/C10H17N3/c11-6-9-3-5-13(7-9)8-10-2-1-4-12-10/h9-10,12H,1-5,7-8H2
InChIKeyGFSIYFKDNWUUHW-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.58
Rot. Bonds2

About 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile

1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile (PubChem CID 164658028) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile
PubChem CID164658028
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(CC2CCCN2)C1
InChIInChI=1S/C10H17N3/c11-6-9-3-5-13(7-9)8-10-2-1-4-12-10/h9-10,12H,1-5,7-8H2
InChIKeyGFSIYFKDNWUUHW-UHFFFAOYSA-N
XLogP0.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
CID 106639663
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
CID 130690026
3-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819669
3-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 64598334
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902
1,2-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819532
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
2-methyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 43199476

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile (CID 164658028) is 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile is N#CC1CCN(CC2CCCN2)C1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile?
The InChIKey is GFSIYFKDNWUUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-6-9-3-5-13(7-9)8-10-2-1-4-12-10/h9-10,12H,1-5,7-8H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile?
1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 164658028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).