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

C10H17NO — CID 174832038

IUPAC4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one
SMILESC=CC1C(C)N(C)C(=O)C1(C)C
InChIInChI=1S/C10H17NO/c1-6-8-7(2)11(5)9(12)10(8,3)4/h6-8H,1H2,2-5H3
InChIKeyJOIPTVYHXRWGET-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.68
Rot. Bonds1

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

4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one (PubChem CID 174832038) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one
PubChem CID174832038
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one
SMILESC=CC1C(C)N(C)C(=O)C1(C)C
InChIInChI=1S/C10H17NO/c1-6-8-7(2)11(5)9(12)10(8,3)4/h6-8H,1H2,2-5H3
InChIKeyJOIPTVYHXRWGET-UHFFFAOYSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.68
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 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one (CID 174832038) is 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one is C=CC1C(C)N(C)C(=O)C1(C)C.
What is the InChIKey of 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one?
The InChIKey is JOIPTVYHXRWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-8-7(2)11(5)9(12)10(8,3)4/h6-8H,1H2,2-5H3.
What are the key properties of 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one?
4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3,3,5-tetramethylpyrrolidin-2-one is sourced from PubChem (CID 174832038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).