3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one

C12H21NO — CID 59547379

IUPAC3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one
SMILESC=CC1(C)C(=O)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO/c1-8-12(6)9(14)13(7)11(4,5)10(12,2)3/h8H,1H2,2-7H3
InChIKeySYACPSYMZMXFTC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds1

About 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one

3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one (PubChem CID 59547379) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one
PubChem CID59547379
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one
SMILESC=CC1(C)C(=O)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO/c1-8-12(6)9(14)13(7)11(4,5)10(12,2)3/h8H,1H2,2-7H3
InChIKeySYACPSYMZMXFTC-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one?
The IUPAC name of 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one (CID 59547379) is 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one.
What is the SMILES notation for 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one?
The canonical SMILES for 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one is C=CC1(C)C(=O)N(C)C(C)(C)C1(C)C.
What is the InChIKey of 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one?
The InChIKey is SYACPSYMZMXFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8-12(6)9(14)13(7)11(4,5)10(12,2)3/h8H,1H2,2-7H3.
What are the key properties of 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one?
3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one is sourced from PubChem (CID 59547379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).