1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one

C11H19NO — CID 22340864

IUPAC1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one
SMILESC=CN1C(=O)C(C)(CC)C(C)C1C
InChIInChI=1S/C11H19NO/c1-6-11(5)8(3)9(4)12(7-2)10(11)13/h7-9H,2,6H2,1,3-5H3
InChIKeyPGHAPVDSVLWQGB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.41
Rot. Bonds2

About 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one

1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one (PubChem CID 22340864) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one
PubChem CID22340864
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one
SMILESC=CN1C(=O)C(C)(CC)C(C)C1C
InChIInChI=1S/C11H19NO/c1-6-11(5)8(3)9(4)12(7-2)10(11)13/h7-9H,2,6H2,1,3-5H3
InChIKeyPGHAPVDSVLWQGB-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one (CID 22340864) is 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one is C=CN1C(=O)C(C)(CC)C(C)C1C.
What is the InChIKey of 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one?
The InChIKey is PGHAPVDSVLWQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-11(5)8(3)9(4)12(7-2)10(11)13/h7-9H,2,6H2,1,3-5H3.
What are the key properties of 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one?
1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethyl-3,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 22340864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).