3-pyrrolidin-3-ylpropanenitrile

C7H12N2 — CID 83669079

IUPAC3-pyrrolidin-3-ylpropanenitrile
SMILESN#CCCC1CCNC1
InChIInChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h7,9H,1-3,5-6H2
InChIKeyRYIKRXZPLLICGX-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.90
Rot. Bonds2

About 3-pyrrolidin-3-ylpropanenitrile

3-pyrrolidin-3-ylpropanenitrile (PubChem CID 83669079) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylpropanenitrile.

Molecular Properties

Compound Name3-pyrrolidin-3-ylpropanenitrile
PubChem CID83669079
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-pyrrolidin-3-ylpropanenitrile
SMILESN#CCCC1CCNC1
InChIInChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h7,9H,1-3,5-6H2
InChIKeyRYIKRXZPLLICGX-UHFFFAOYSA-N
XLogP0.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
5-piperidin-4-ylpentanenitrile;hydrochloride
CID 155294565
3-(2-iodoethyl)pyrrolidine
CID 71648953
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
3-cycloheptylpropanenitrile
CID 13164045
2-[1-(2-pyrrolidin-3-ylethoxymethyl)cyclopropyl]acetonitrile
CID 114796160
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride
CID 155858423
(3S)-3-pentylpyrrolidine
CID 10261191
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 71636554

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylpropanenitrile?
The IUPAC name of 3-pyrrolidin-3-ylpropanenitrile (CID 83669079) is 3-pyrrolidin-3-ylpropanenitrile.
What is the SMILES notation for 3-pyrrolidin-3-ylpropanenitrile?
The canonical SMILES for 3-pyrrolidin-3-ylpropanenitrile is N#CCCC1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-ylpropanenitrile?
The InChIKey is RYIKRXZPLLICGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h7,9H,1-3,5-6H2.
What are the key properties of 3-pyrrolidin-3-ylpropanenitrile?
3-pyrrolidin-3-ylpropanenitrile has a molecular weight of 124.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylpropanenitrile is sourced from PubChem (CID 83669079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).