5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one

C16H22N2O3 — CID 167188726

IUPAC5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one
SMILESCCn1cc(CC(=O)N2CCC[C@H]2C(C)=O)cc(C)c1=O
InChIInChI=1S/C16H22N2O3/c1-4-17-10-13(8-11(2)16(17)21)9-15(20)18-7-5-6-14(18)12(3)19/h8,10,14H,4-7,9H2,1-3H3/t14-/m0/s1
InChIKeyWZKPENCNHIDXHF-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.30
Rot. Bonds4

About 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one

5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one (PubChem CID 167188726) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one
PubChem CID167188726
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one
SMILESCCn1cc(CC(=O)N2CCC[C@H]2C(C)=O)cc(C)c1=O
InChIInChI=1S/C16H22N2O3/c1-4-17-10-13(8-11(2)16(17)21)9-15(20)18-7-5-6-14(18)12(3)19/h8,10,14H,4-7,9H2,1-3H3/t14-/m0/s1
InChIKeyWZKPENCNHIDXHF-AWEZNQCLSA-N
XLogP1.30
TPSA59.38 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one?
The IUPAC name of 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one (CID 167188726) is 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one.
What is the SMILES notation for 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one?
The canonical SMILES for 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one is CCn1cc(CC(=O)N2CCC[C@H]2C(C)=O)cc(C)c1=O.
What is the InChIKey of 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one?
The InChIKey is WZKPENCNHIDXHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-17-10-13(8-11(2)16(17)21)9-15(20)18-7-5-6-14(18)12(3)19/h8,10,14H,4-7,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one?
5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S)-2-acetylpyrrolidin-1-yl]-2-oxoethyl]-1-ethyl-3-methylpyridin-2-one is sourced from PubChem (CID 167188726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).