1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one

C16H22N2O3 — CID 170370736

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one
SMILESCc1ccn(CC(O)C2CC2)c(=O)c1N1CC(C)CC1=O
InChIInChI=1S/C16H22N2O3/c1-10-7-14(20)18(8-10)15-11(2)5-6-17(16(15)21)9-13(19)12-3-4-12/h5-6,10,12-13,19H,3-4,7-9H2,1-2H3
InChIKeyZVPDKWVEWGZDAI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.30
Rot. Bonds4

About 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one

1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one (PubChem CID 170370736) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one
PubChem CID170370736
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one
SMILESCc1ccn(CC(O)C2CC2)c(=O)c1N1CC(C)CC1=O
InChIInChI=1S/C16H22N2O3/c1-10-7-14(20)18(8-10)15-11(2)5-6-17(16(15)21)9-13(19)12-3-4-12/h5-6,10,12-13,19H,3-4,7-9H2,1-2H3
InChIKeyZVPDKWVEWGZDAI-UHFFFAOYSA-N
XLogP1.30
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one (CID 170370736) is 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one is Cc1ccn(CC(O)C2CC2)c(=O)c1N1CC(C)CC1=O.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one?
The InChIKey is ZVPDKWVEWGZDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-7-14(20)18(8-10)15-11(2)5-6-17(16(15)21)9-13(19)12-3-4-12/h5-6,10,12-13,19H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one?
1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)pyridin-2-one is sourced from PubChem (CID 170370736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).