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

C8H11NO — CID 141232584

IUPAC5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one
SMILESC=CC1=CC(C)(C)C(=O)N1
InChIInChI=1S/C8H11NO/c1-4-6-5-8(2,3)7(10)9-6/h4-5H,1H2,2-3H3,(H,9,10)
InChIKeyVICDGRMAONEGSZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.21
Rot. Bonds1

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

5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one (PubChem CID 141232584) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one
PubChem CID141232584
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one
SMILESC=CC1=CC(C)(C)C(=O)N1
InChIInChI=1S/C8H11NO/c1-4-6-5-8(2,3)7(10)9-6/h4-5H,1H2,2-3H3,(H,9,10)
InChIKeyVICDGRMAONEGSZ-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.21
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-dimethyl-1H-pyrrol-2-one?
The IUPAC name of 5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one (CID 141232584) is 5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one.
What is the SMILES notation for 5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one?
The canonical SMILES for 5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one is C=CC1=CC(C)(C)C(=O)N1.
What is the InChIKey of 5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one?
The InChIKey is VICDGRMAONEGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-4-6-5-8(2,3)7(10)9-6/h4-5H,1H2,2-3H3,(H,9,10).
What are the key properties of 5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one?
5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,3-dimethyl-1H-pyrrol-2-one is sourced from PubChem (CID 141232584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).