4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one

C9H13NO — CID 170081834

IUPAC4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one
SMILESC=CC1=C(C)CN(CC)C1=O
InChIInChI=1S/C9H13NO/c1-4-8-7(3)6-10(5-2)9(8)11/h4H,1,5-6H2,2-3H3
InChIKeyUTOLMVCGATYKFC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds2

About 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one

4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one (PubChem CID 170081834) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one
PubChem CID170081834
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one
SMILESC=CC1=C(C)CN(CC)C1=O
InChIInChI=1S/C9H13NO/c1-4-8-7(3)6-10(5-2)9(8)11/h4H,1,5-6H2,2-3H3
InChIKeyUTOLMVCGATYKFC-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one (CID 170081834) is 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one is C=CC1=C(C)CN(CC)C1=O.
What is the InChIKey of 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one?
The InChIKey is UTOLMVCGATYKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-7(3)6-10(5-2)9(8)11/h4H,1,5-6H2,2-3H3.
What are the key properties of 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one?
4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 170081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).