6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile

C11H11N3O2 — CID 168663615

IUPAC6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CC(CO)CC2=O)nc1
InChIInChI=1S/C11H11N3O2/c12-4-8-1-2-10(13-5-8)14-6-9(7-15)3-11(14)16/h1-2,5,9,15H,3,6-7H2
InChIKeyJUINKTJACXWFGT-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.30
Rot. Bonds2

About 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile

6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 168663615) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID168663615
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CC(CO)CC2=O)nc1
InChIInChI=1S/C11H11N3O2/c12-4-8-1-2-10(13-5-8)14-6-9(7-15)3-11(14)16/h1-2,5,9,15H,3,6-7H2
InChIKeyJUINKTJACXWFGT-UHFFFAOYSA-N
XLogP0.30
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile (CID 168663615) is 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CC(CO)CC2=O)nc1.
What is the InChIKey of 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JUINKTJACXWFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-4-8-1-2-10(13-5-8)14-6-9(7-15)3-11(14)16/h1-2,5,9,15H,3,6-7H2.
What are the key properties of 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 168663615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).