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

C10H17NO — CID 126599739

IUPAC1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one
SMILESC=CN1C(=O)C(C)(C)C(C)C1C
InChIInChI=1S/C10H17NO/c1-6-11-8(3)7(2)10(4,5)9(11)12/h6-8H,1H2,2-5H3
InChIKeyVEVBPYZBKXFRAX-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.02
Rot. Bonds1

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

1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one (PubChem CID 126599739) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one
PubChem CID126599739
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one
SMILESC=CN1C(=O)C(C)(C)C(C)C1C
InChIInChI=1S/C10H17NO/c1-6-11-8(3)7(2)10(4,5)9(11)12/h6-8H,1H2,2-5H3
InChIKeyVEVBPYZBKXFRAX-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one?
The IUPAC name of 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one (CID 126599739) is 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one.
What is the SMILES notation for 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one?
The canonical SMILES for 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one is C=CN1C(=O)C(C)(C)C(C)C1C.
What is the InChIKey of 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one?
The InChIKey is VEVBPYZBKXFRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-11-8(3)7(2)10(4,5)9(11)12/h6-8H,1H2,2-5H3.
What are the key properties of 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one?
1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one is sourced from PubChem (CID 126599739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).