3-hydroxy-2-pyrrolidin-1-ylpropanenitrile

C7H12N2O — CID 68829508

IUPAC3-hydroxy-2-pyrrolidin-1-ylpropanenitrile
SMILESN#CC(CO)N1CCCC1
InChIInChI=1S/C7H12N2O/c8-5-7(6-10)9-3-1-2-4-9/h7,10H,1-4,6H2
InChIKeyRHFASRDDGLRZRV-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.03
Rot. Bonds2

About 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile

3-hydroxy-2-pyrrolidin-1-ylpropanenitrile (PubChem CID 68829508) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-pyrrolidin-1-ylpropanenitrile
PubChem CID68829508
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-hydroxy-2-pyrrolidin-1-ylpropanenitrile
SMILESN#CC(CO)N1CCCC1
InChIInChI=1S/C7H12N2O/c8-5-7(6-10)9-3-1-2-4-9/h7,10H,1-4,6H2
InChIKeyRHFASRDDGLRZRV-UHFFFAOYSA-N
XLogP-0.03
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile (CID 68829508) is 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile is N#CC(CO)N1CCCC1.
What is the InChIKey of 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile?
The InChIKey is RHFASRDDGLRZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-5-7(6-10)9-3-1-2-4-9/h7,10H,1-4,6H2.
What are the key properties of 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile?
3-hydroxy-2-pyrrolidin-1-ylpropanenitrile has a molecular weight of 140.19 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 68829508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).