5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C17H24N2O3 — CID 56746060

IUPAC5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCC(CC(C)C)C2)c(=O)[nH]c1C
InChIInChI=1S/C17H24N2O3/c1-10(2)7-13-5-6-19(9-13)17(22)15-8-14(12(4)20)11(3)18-16(15)21/h8,10,13H,5-7,9H2,1-4H3,(H,18,21)
InChIKeyFOILEDNKVXWGJJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.39
Rot. Bonds4

About 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56746060) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56746060
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCC(CC(C)C)C2)c(=O)[nH]c1C
InChIInChI=1S/C17H24N2O3/c1-10(2)7-13-5-6-19(9-13)17(22)15-8-14(12(4)20)11(3)18-16(15)21/h8,10,13H,5-7,9H2,1-4H3,(H,18,21)
InChIKeyFOILEDNKVXWGJJ-UHFFFAOYSA-N
XLogP2.39
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 56746060) is 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CC(=O)c1cc(C(=O)N2CCC(CC(C)C)C2)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is FOILEDNKVXWGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-10(2)7-13-5-6-19(9-13)17(22)15-8-14(12(4)20)11(3)18-16(15)21/h8,10,13H,5-7,9H2,1-4H3,(H,18,21).
What are the key properties of 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56746060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).