(5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one

C10H15NO2 — CID 58605212

IUPAC(5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1C[C@@H](C(C)=O)N(C)C1=O
InChIInChI=1S/C10H15NO2/c1-4-5-8-6-9(7(2)12)11(3)10(8)13/h4,8-9H,1,5-6H2,2-3H3/t8?,9-/m0/s1
InChIKeyDPAZPKVKAKSZBA-GKAPJAKFSA-N
MW181.23 g/mol
LogP1.00
Rot. Bonds3

About (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one

(5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one (PubChem CID 58605212) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one
PubChem CID58605212
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1C[C@@H](C(C)=O)N(C)C1=O
InChIInChI=1S/C10H15NO2/c1-4-5-8-6-9(7(2)12)11(3)10(8)13/h4,8-9H,1,5-6H2,2-3H3/t8?,9-/m0/s1
InChIKeyDPAZPKVKAKSZBA-GKAPJAKFSA-N
XLogP1.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylbutanoyl)-1-[(E)-prop-1-enyl]pyrrolidin-2-one
CID 121001578
1-(2-But-3-enoylpyrrolidin-1-yl)propane-1,2-dione
CID 20647193
(2S)-1-[(2S,4S)-2-acetyl-4-methylpyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 58215025
(5S)-5-acetyl-1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 58605319
Tert-butyl 5-acetyl-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 58705646
tert-butyl (5S)-5-acetyl-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 58908555
(3R,5S)-5-acetyl-3-ethyl-1-methylpyrrolidin-2-one
CID 59107018
(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109331
(3S)-3-(3-methylbut-3-enyl)-1-(2-oxopropyl)pyrrolidin-2-one
CID 59951640
1-(2-Acetyl-4-methylpyrrolidin-1-yl)-2-methylpent-4-en-1-one
CID 67960914
1-(1-Ethyl-3-prop-2-enylpyrrolidin-2-yl)propan-1-one
CID 68300069
1,5-Di(but-3-enoyl)pyrrolidin-2-one
CID 70359984

Frequently Asked Questions

What is the IUPAC name of (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one (CID 58605212) is (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one is C=CCC1C[C@@H](C(C)=O)N(C)C1=O.
What is the InChIKey of (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is DPAZPKVKAKSZBA-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-5-8-6-9(7(2)12)11(3)10(8)13/h4,8-9H,1,5-6H2,2-3H3/t8?,9-/m0/s1.
What are the key properties of (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one?
(5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 58605212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).