4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile

C9H10N2O — CID 131097005

IUPAC4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile
SMILESN#Cc1cocc1[C@@H]1CCCN1
InChIInChI=1S/C9H10N2O/c10-4-7-5-12-6-8(7)9-2-1-3-11-9/h5-6,9,11H,1-3H2/t9-/m0/s1
InChIKeyUHIHTAAOCRXMKM-VIFPVBQESA-N
MW162.19 g/mol
LogP1.58
Rot. Bonds1

About 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile

4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile (PubChem CID 131097005) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile
PubChem CID131097005
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile
SMILESN#Cc1cocc1[C@@H]1CCCN1
InChIInChI=1S/C9H10N2O/c10-4-7-5-12-6-8(7)9-2-1-3-11-9/h5-6,9,11H,1-3H2/t9-/m0/s1
InChIKeyUHIHTAAOCRXMKM-VIFPVBQESA-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

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Related Compounds

4-[(2R)-piperidin-2-yl]furan-3-carbonitrile
CID 130782183
(2S)-2-(4-methylfuran-3-yl)pyrrolidine
CID 96733805
4-pyrrolidin-2-ylpyridine-3-carbonitrile
CID 82411637
2-chloro-3-pyrrolidin-2-ylbenzonitrile
CID 130043692
5-hydroxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130632788
2-bromo-3-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130644804
2,4-difluoro-5-piperidin-2-ylbenzonitrile
CID 117317640
5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile
CID 131142987
2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile
CID 130710414
2-hydroxy-3-[(2S)-piperidin-2-yl]benzonitrile
CID 131554616
4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile
CID 55263705
7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile
CID 66519501

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile?
The IUPAC name of 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile (CID 131097005) is 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile.
What is the SMILES notation for 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile?
The canonical SMILES for 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile is N#Cc1cocc1[C@@H]1CCCN1.
What is the InChIKey of 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile?
The InChIKey is UHIHTAAOCRXMKM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10N2O/c10-4-7-5-12-6-8(7)9-2-1-3-11-9/h5-6,9,11H,1-3H2/t9-/m0/s1.
What are the key properties of 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile?
4-[(2S)-pyrrolidin-2-yl]furan-3-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 4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile is sourced from PubChem (CID 131097005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).