(3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one

C9H15NO2 — CID 59107018

IUPAC(3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one
SMILESCC[C@@H]1C[C@@H](C(C)=O)N(C)C1=O
InChIInChI=1S/C9H15NO2/c1-4-7-5-8(6(2)11)10(3)9(7)12/h7-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKeyYWGPDWSHWUPDLU-SFYZADRCSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds2

About (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one

(3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one (PubChem CID 59107018) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one
PubChem CID59107018
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one
SMILESCC[C@@H]1C[C@@H](C(C)=O)N(C)C1=O
InChIInChI=1S/C9H15NO2/c1-4-7-5-8(6(2)11)10(3)9(7)12/h7-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKeyYWGPDWSHWUPDLU-SFYZADRCSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-oxo-4-(2-oxopropyl)pyrrolidin-1-yl]butanamide
CID 9813314
1-Methyl-5-(1-methylethyl)-2,4-pyrrolidinedione
CID 13197666
5-(2-Methylpropanoyl)pyrrolidin-2-one
CID 20577844
(3S)-3-[(2S)-2-Amino-3-oxobutyl]pyrrolidin-2-one
CID 16214837
1-[(4R)-2-acetyl-4-(1,1-difluoroethyl)pyrrolidin-1-yl]propan-1-one
CID 143195839
1-[(2S,3S)-1-acetyl-3-(difluoromethyl)pyrrolidin-2-yl]ethanone
CID 154547527
1-[1-Acetyl-3,4-bis(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethanone
CID 162578135
1-[(2S,3S)-1-acetyl-3-(1,1-difluoroethyl)pyrrolidin-2-yl]ethanone
CID 164164343
1,5-Diacetylpyrrolidin-2-one
CID 322651
4-Propanoyl-1-propan-2-ylpyrrolidin-2-one
CID 72945283
(2R,3R)-2,3,6-trimethyl-1-pyrrolidin-1-ylheptane-1,5-dione
CID 134905504
(2R,3S)-2,3,6-trimethyl-1-pyrrolidin-1-ylheptane-1,5-dione
CID 134975772

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one?
The IUPAC name of (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one (CID 59107018) is (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one is CC[C@@H]1C[C@@H](C(C)=O)N(C)C1=O.
What is the InChIKey of (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one?
The InChIKey is YWGPDWSHWUPDLU-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-7-5-8(6(2)11)10(3)9(7)12/h7-8H,4-5H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one?
(3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 59107018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).