6-pyrrolidin-3-yl-1H-pyridin-2-one

C9H12N2O — CID 82414857

IUPAC6-pyrrolidin-3-yl-1H-pyridin-2-one
SMILESO=c1cccc(C2CCNC2)[nH]1
InChIInChI=1S/C9H12N2O/c12-9-3-1-2-8(11-9)7-4-5-10-6-7/h1-3,7,10H,4-6H2,(H,11,12)
InChIKeySPVQFSDPVAPQPP-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.45
Rot. Bonds1

About 6-pyrrolidin-3-yl-1H-pyridin-2-one

6-pyrrolidin-3-yl-1H-pyridin-2-one (PubChem CID 82414857) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-pyrrolidin-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-pyrrolidin-3-yl-1H-pyridin-2-one
PubChem CID82414857
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-pyrrolidin-3-yl-1H-pyridin-2-one
SMILESO=c1cccc(C2CCNC2)[nH]1
InChIInChI=1S/C9H12N2O/c12-9-3-1-2-8(11-9)7-4-5-10-6-7/h1-3,7,10H,4-6H2,(H,11,12)
InChIKeySPVQFSDPVAPQPP-UHFFFAOYSA-N
XLogP0.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-yl-1H-pyridin-2-one?
The IUPAC name of 6-pyrrolidin-3-yl-1H-pyridin-2-one (CID 82414857) is 6-pyrrolidin-3-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-pyrrolidin-3-yl-1H-pyridin-2-one?
The canonical SMILES for 6-pyrrolidin-3-yl-1H-pyridin-2-one is O=c1cccc(C2CCNC2)[nH]1.
What is the InChIKey of 6-pyrrolidin-3-yl-1H-pyridin-2-one?
The InChIKey is SPVQFSDPVAPQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-3-1-2-8(11-9)7-4-5-10-6-7/h1-3,7,10H,4-6H2,(H,11,12).
What are the key properties of 6-pyrrolidin-3-yl-1H-pyridin-2-one?
6-pyrrolidin-3-yl-1H-pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 82414857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).