5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one

C10H15NO2 — CID 21016577

IUPAC5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CC(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
InChIKeyDPAZPKVKAKSZBA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.00
Rot. Bonds3

About 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one

5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one (PubChem CID 21016577) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one
PubChem CID21016577
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CC(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
InChIKeyDPAZPKVKAKSZBA-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one (CID 21016577) is 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one is C=CCC1CC(C(C)=O)N(C)C1=O.
What is the InChIKey of 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is DPAZPKVKAKSZBA-UHFFFAOYSA-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.
What are the key properties of 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one?
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 5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 21016577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).