(5S)-5-acetyl-1-propanoylpyrrolidin-3-one

C9H13NO3 — CID 142269087

IUPAC(5S)-5-acetyl-1-propanoylpyrrolidin-3-one
SMILESCCC(=O)N1CC(=O)C[C@H]1C(C)=O
InChIInChI=1S/C9H13NO3/c1-3-9(13)10-5-7(12)4-8(10)6(2)11/h8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyGGWJEDVHODEYEL-QMMMGPOBSA-N
MW183.21 g/mol
LogP0.16
Rot. Bonds2

About (5S)-5-acetyl-1-propanoylpyrrolidin-3-one

(5S)-5-acetyl-1-propanoylpyrrolidin-3-one (PubChem CID 142269087) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (5S)-5-acetyl-1-propanoylpyrrolidin-3-one.

Molecular Properties

Compound Name(5S)-5-acetyl-1-propanoylpyrrolidin-3-one
PubChem CID142269087
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(5S)-5-acetyl-1-propanoylpyrrolidin-3-one
SMILESCCC(=O)N1CC(=O)C[C@H]1C(C)=O
InChIInChI=1S/C9H13NO3/c1-3-9(13)10-5-7(12)4-8(10)6(2)11/h8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyGGWJEDVHODEYEL-QMMMGPOBSA-N
XLogP0.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-1-methylpyrrolidin-3-one;ethane
CID 142036222
(2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide
CID 143329837
methyl (2S)-4-oxo-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 131712511
(2S)-1-[3-[[3-[(2S)-2-carboxy-4-oxopyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanoyl]-4-oxopyrrolidine-2-carboxylic acid
CID 12773673
1-propanoylpyrrolidine-2,4-dione
CID 90208032
(2S)-4-oxo-1-[2-(sulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 57127150
ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
CID 84820035
1-(1-acetyl-4-methylidenepyrrolidin-2-yl)ethanone
CID 142269029
tert-butyl 2-acetyl-4-oxopiperidine-1-carboxylate
CID 77452835
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
(2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide
CID 143329783
1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane
CID 142269040

Frequently Asked Questions

What is the IUPAC name of (5S)-5-acetyl-1-propanoylpyrrolidin-3-one?
The IUPAC name of (5S)-5-acetyl-1-propanoylpyrrolidin-3-one (CID 142269087) is (5S)-5-acetyl-1-propanoylpyrrolidin-3-one.
What is the SMILES notation for (5S)-5-acetyl-1-propanoylpyrrolidin-3-one?
The canonical SMILES for (5S)-5-acetyl-1-propanoylpyrrolidin-3-one is CCC(=O)N1CC(=O)C[C@H]1C(C)=O.
What is the InChIKey of (5S)-5-acetyl-1-propanoylpyrrolidin-3-one?
The InChIKey is GGWJEDVHODEYEL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-9(13)10-5-7(12)4-8(10)6(2)11/h8H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (5S)-5-acetyl-1-propanoylpyrrolidin-3-one?
(5S)-5-acetyl-1-propanoylpyrrolidin-3-one has a molecular weight of 183.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-acetyl-1-propanoylpyrrolidin-3-one is sourced from PubChem (CID 142269087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).