3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one

C8H11NO — CID 91071913

IUPAC3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one
SMILESC=CC1=C(C)C(=O)N(C)C1
InChIInChI=1S/C8H11NO/c1-4-7-5-9(3)8(10)6(7)2/h4H,1,5H2,2-3H3
InChIKeyHWBLEECCRMYWPS-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.96
Rot. Bonds1

About 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one

3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one (PubChem CID 91071913) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one
PubChem CID91071913
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one
SMILESC=CC1=C(C)C(=O)N(C)C1
InChIInChI=1S/C8H11NO/c1-4-7-5-9(3)8(10)6(7)2/h4H,1,5H2,2-3H3
InChIKeyHWBLEECCRMYWPS-UHFFFAOYSA-N
XLogP0.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
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3-[(E)-1-fluorobut-1-enyl]-1,4-dimethyl-2H-pyrrol-5-one
CID 155031148
3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
CID 160607365
1,4,6-trimethyl-2H-pyridine-3-carbaldehyde
CID 170948410
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one
CID 170081834
8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one
CID 164598410
4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridine;ethane
CID 145316380
1,5-dimethyl-2H-pyrazine-3,6-dione;ethane
CID 142925625
(3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one
CID 172605623
4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 143991257
N-(3-hydroxy-1-methyl-5-oxo-2H-pyrrol-4-yl)acetamide
CID 101043112

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one (CID 91071913) is 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one is C=CC1=C(C)C(=O)N(C)C1.
What is the InChIKey of 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is HWBLEECCRMYWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-4-7-5-9(3)8(10)6(7)2/h4H,1,5H2,2-3H3.
What are the key properties of 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one?
3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 137.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 91071913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).