3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one

C10H15NO2 — CID 130880314

IUPAC3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)N1CCC(C)(CC)C1=O
InChIInChI=1S/C10H15NO2/c1-4-8(12)11-7-6-10(3,5-2)9(11)13/h4H,1,5-7H2,2-3H3
InChIKeyBYFLRJUYZWHTNX-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.35
Rot. Bonds2

About 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one

3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one (PubChem CID 130880314) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one
PubChem CID130880314
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)N1CCC(C)(CC)C1=O
InChIInChI=1S/C10H15NO2/c1-4-8(12)11-7-6-10(3,5-2)9(11)13/h4H,1,5-7H2,2-3H3
InChIKeyBYFLRJUYZWHTNX-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
CID 167457745
1-[(1S)-1-aminoethyl]-3-ethyl-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 178168123
1-tert-butyl-3-prop-2-enoylimidazolidin-2-one
CID 156689051
1-acetyl-3,3-dimethylpyrrolidin-2-one
CID 175236752
(3S)-1-benzoyl-3-methyl-3-prop-2-enylpiperidin-2-one
CID 53495094
1-(2,2-dimethylpiperidin-1-yl)prop-2-en-1-one
CID 123423151
7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one
CID 178167742
prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate
CID 155131391
(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one
CID 89318251
4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
CID 175432940
(3S)-1-(4-methoxybenzoyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 53495098
1-[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 130426973

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one?
The IUPAC name of 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one (CID 130880314) is 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one?
The canonical SMILES for 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one is C=CC(=O)N1CCC(C)(CC)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one?
The InChIKey is BYFLRJUYZWHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8(12)11-7-6-10(3,5-2)9(11)13/h4H,1,5-7H2,2-3H3.
What are the key properties of 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one?
3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-prop-2-enoylpyrrolidin-2-one is sourced from PubChem (CID 130880314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).