5-ethenyl-3,3-diethyl-1H-pyrrol-2-one

C10H15NO — CID 141324786

IUPAC5-ethenyl-3,3-diethyl-1H-pyrrol-2-one
SMILESC=CC1=CC(CC)(CC)C(=O)N1
InChIInChI=1S/C10H15NO/c1-4-8-7-10(5-2,6-3)9(12)11-8/h4,7H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyMHYCBNBFVDTTIH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.99
Rot. Bonds3

About 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one

5-ethenyl-3,3-diethyl-1H-pyrrol-2-one (PubChem CID 141324786) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-ethenyl-3,3-diethyl-1H-pyrrol-2-one
PubChem CID141324786
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-ethenyl-3,3-diethyl-1H-pyrrol-2-one
SMILESC=CC1=CC(CC)(CC)C(=O)N1
InChIInChI=1S/C10H15NO/c1-4-8-7-10(5-2,6-3)9(12)11-8/h4,7H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyMHYCBNBFVDTTIH-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one?
The IUPAC name of 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one (CID 141324786) is 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one.
What is the SMILES notation for 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one?
The canonical SMILES for 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one is C=CC1=CC(CC)(CC)C(=O)N1.
What is the InChIKey of 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one?
The InChIKey is MHYCBNBFVDTTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-7-10(5-2,6-3)9(12)11-8/h4,7H,1,5-6H2,2-3H3,(H,11,12).
What are the key properties of 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one?
5-ethenyl-3,3-diethyl-1H-pyrrol-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,3-diethyl-1H-pyrrol-2-one is sourced from PubChem (CID 141324786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).