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

C7H9NO — CID 14028808

IUPAC1-ethenyl-5-methyl-3H-pyrrol-2-one
SMILESC=CN1C(=O)CC=C1C
InChIInChI=1S/C7H9NO/c1-3-8-6(2)4-5-7(8)9/h3-4H,1,5H2,2H3
InChIKeyLFNCGQDANXRGPB-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.27
Rot. Bonds1

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

1-ethenyl-5-methyl-3H-pyrrol-2-one (PubChem CID 14028808) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-ethenyl-5-methyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name1-ethenyl-5-methyl-3H-pyrrol-2-one
PubChem CID14028808
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-ethenyl-5-methyl-3H-pyrrol-2-one
SMILESC=CN1C(=O)CC=C1C
InChIInChI=1S/C7H9NO/c1-3-8-6(2)4-5-7(8)9/h3-4H,1,5H2,2H3
InChIKeyLFNCGQDANXRGPB-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-methyl-3H-pyrrol-2-one?
The IUPAC name of 1-ethenyl-5-methyl-3H-pyrrol-2-one (CID 14028808) is 1-ethenyl-5-methyl-3H-pyrrol-2-one.
What is the SMILES notation for 1-ethenyl-5-methyl-3H-pyrrol-2-one?
The canonical SMILES for 1-ethenyl-5-methyl-3H-pyrrol-2-one is C=CN1C(=O)CC=C1C.
What is the InChIKey of 1-ethenyl-5-methyl-3H-pyrrol-2-one?
The InChIKey is LFNCGQDANXRGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-8-6(2)4-5-7(8)9/h3-4H,1,5H2,2H3.
What are the key properties of 1-ethenyl-5-methyl-3H-pyrrol-2-one?
1-ethenyl-5-methyl-3H-pyrrol-2-one has a molecular weight of 123.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-methyl-3H-pyrrol-2-one is sourced from PubChem (CID 14028808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).