5-ethenyl-1,3-dihydropyrrol-2-one

C6H7NO — CID 19845204

IUPAC5-ethenyl-1,3-dihydropyrrol-2-one
SMILESC=CC1=CCC(=O)N1
InChIInChI=1S/C6H7NO/c1-2-5-3-4-6(8)7-5/h2-3H,1,4H2,(H,7,8)
InChIKeyBTFFBZHWQNRGOJ-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.58
Rot. Bonds1

About 5-ethenyl-1,3-dihydropyrrol-2-one

5-ethenyl-1,3-dihydropyrrol-2-one (PubChem CID 19845204) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-ethenyl-1,3-dihydropyrrol-2-one.

Molecular Properties

Compound Name5-ethenyl-1,3-dihydropyrrol-2-one
PubChem CID19845204
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-ethenyl-1,3-dihydropyrrol-2-one
SMILESC=CC1=CCC(=O)N1
InChIInChI=1S/C6H7NO/c1-2-5-3-4-6(8)7-5/h2-3H,1,4H2,(H,7,8)
InChIKeyBTFFBZHWQNRGOJ-UHFFFAOYSA-N
XLogP0.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,3-dihydropyrrol-2-one?
The IUPAC name of 5-ethenyl-1,3-dihydropyrrol-2-one (CID 19845204) is 5-ethenyl-1,3-dihydropyrrol-2-one.
What is the SMILES notation for 5-ethenyl-1,3-dihydropyrrol-2-one?
The canonical SMILES for 5-ethenyl-1,3-dihydropyrrol-2-one is C=CC1=CCC(=O)N1.
What is the InChIKey of 5-ethenyl-1,3-dihydropyrrol-2-one?
The InChIKey is BTFFBZHWQNRGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-5-3-4-6(8)7-5/h2-3H,1,4H2,(H,7,8).
What are the key properties of 5-ethenyl-1,3-dihydropyrrol-2-one?
5-ethenyl-1,3-dihydropyrrol-2-one has a molecular weight of 109.13 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,3-dihydropyrrol-2-one is sourced from PubChem (CID 19845204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).