5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile

C9H10N2O — CID 131142987

IUPAC5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile
SMILESN#Cc1ccc([C@@H]2CCCN2)o1
InChIInChI=1S/C9H10N2O/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h3-4,8,11H,1-2,5H2/t8-/m0/s1
InChIKeyMGDZSRYEQDJEAH-QMMMGPOBSA-N
MW162.19 g/mol
LogP1.58
Rot. Bonds1

About 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile

5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile (PubChem CID 131142987) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile
PubChem CID131142987
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile
SMILESN#Cc1ccc([C@@H]2CCCN2)o1
InChIInChI=1S/C9H10N2O/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h3-4,8,11H,1-2,5H2/t8-/m0/s1
InChIKeyMGDZSRYEQDJEAH-QMMMGPOBSA-N
XLogP1.58
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile?
The IUPAC name of 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile (CID 131142987) is 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile?
The canonical SMILES for 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile is N#Cc1ccc([C@@H]2CCCN2)o1.
What is the InChIKey of 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile?
The InChIKey is MGDZSRYEQDJEAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N2O/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h3-4,8,11H,1-2,5H2/t8-/m0/s1.
What are the key properties of 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile?
5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile is sourced from PubChem (CID 131142987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).