(3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile

C10H11N3O — CID 170222546

IUPAC(3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile
SMILESN#C[C@H]1CNCC1c1cc[nH]c(=O)c1
InChIInChI=1S/C10H11N3O/c11-4-8-5-12-6-9(8)7-1-2-13-10(14)3-7/h1-3,8-9,12H,5-6H2,(H,13,14)/t8-,9?/m0/s1
InChIKeyAOWWILFGCSOIBT-IENPIDJESA-N
MW189.22 g/mol
LogP0.20
Rot. Bonds1

About (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile

(3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile (PubChem CID 170222546) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile
PubChem CID170222546
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile
SMILESN#C[C@H]1CNCC1c1cc[nH]c(=O)c1
InChIInChI=1S/C10H11N3O/c11-4-8-5-12-6-9(8)7-1-2-13-10(14)3-7/h1-3,8-9,12H,5-6H2,(H,13,14)/t8-,9?/m0/s1
InChIKeyAOWWILFGCSOIBT-IENPIDJESA-N
XLogP0.20
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile?
The IUPAC name of (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile (CID 170222546) is (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile?
The canonical SMILES for (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile is N#C[C@H]1CNCC1c1cc[nH]c(=O)c1.
What is the InChIKey of (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile?
The InChIKey is AOWWILFGCSOIBT-IENPIDJESA-N. The full InChI is InChI=1S/C10H11N3O/c11-4-8-5-12-6-9(8)7-1-2-13-10(14)3-7/h1-3,8-9,12H,5-6H2,(H,13,14)/t8-,9?/m0/s1.
What are the key properties of (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile?
(3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 170222546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).