3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile

C10H9N3O2 — CID 168703966

IUPAC3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1N1CC(O)CC1=O
InChIInChI=1S/C10H9N3O2/c11-5-8-9(2-1-3-12-8)13-6-7(14)4-10(13)15/h1-3,7,14H,4,6H2
InChIKeyITNMEUWCZZNERL-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.05
Rot. Bonds1

About 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile

3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile (PubChem CID 168703966) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
PubChem CID168703966
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1N1CC(O)CC1=O
InChIInChI=1S/C10H9N3O2/c11-5-8-9(2-1-3-12-8)13-6-7(14)4-10(13)15/h1-3,7,14H,4,6H2
InChIKeyITNMEUWCZZNERL-UHFFFAOYSA-N
XLogP0.05
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile (CID 168703966) is 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile is N#Cc1ncccc1N1CC(O)CC1=O.
What is the InChIKey of 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is ITNMEUWCZZNERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-5-8-9(2-1-3-12-8)13-6-7(14)4-10(13)15/h1-3,7,14H,4,6H2.
What are the key properties of 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?
3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 168703966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).