3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one

C12H16N2O2 — CID 123447727

IUPAC3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C2CCNC2=O)c(=O)[nH]1
InChIInChI=1S/C12H16N2O2/c1-7(2)10-4-3-8(12(16)14-10)9-5-6-13-11(9)15/h3-4,7,9H,5-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDWKLSZODOTVZID-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.10
Rot. Bonds2

About 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one

3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 123447727) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID123447727
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C2CCNC2=O)c(=O)[nH]1
InChIInChI=1S/C12H16N2O2/c1-7(2)10-4-3-8(12(16)14-10)9-5-6-13-11(9)15/h3-4,7,9H,5-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDWKLSZODOTVZID-UHFFFAOYSA-N
XLogP1.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one
CID 20664786
3-(Pyrrolidin-3-yl)pyridin-2-ol
CID 22104921
3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one
CID 58017366
4-(aminomethylidene)-3,3a-dihydro-2H-isoindol-1-one
CID 69734885
2,3,3a,4-tetrahydro-1H-indole-5-carboxamide
CID 69860163
2,3,3a,4-tetrahydro-1H-indole-6-carboxamide
CID 70096474
2-[2-(Ethylamino)ethyl]-3a,4-dihydroisoindole-1,3-dione;hydrochloride
CID 89871089
4-methyl-6-[2-(2-oxo-1H-pyridin-3-yl)propyl]-1H-pyridin-2-one
CID 134461758
4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 139307513
6-[(Z)-1-bromo-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 140283040
5,6-Diamino-3a,4-dihydroisoindole-1,3-dione
CID 141040913
4,5-Diamino-3a,4-dihydroisoindole-1,3-dione
CID 141040921

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one (CID 123447727) is 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C2CCNC2=O)c(=O)[nH]1.
What is the InChIKey of 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is DWKLSZODOTVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)10-4-3-8(12(16)14-10)9-5-6-13-11(9)15/h3-4,7,9H,5-6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one?
3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-3-yl)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 123447727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).