3-ethenyl-5-methylidenecyclopent-2-en-1-one

C8H8O — CID 144754943

IUPAC3-ethenyl-5-methylidenecyclopent-2-en-1-one
SMILESC=CC1=CC(=O)C(=C)C1
InChIInChI=1S/C8H8O/c1-3-7-4-6(2)8(9)5-7/h3,5H,1-2,4H2
InChIKeyUGXUHKSYJFMKON-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.63
Rot. Bonds1

About 3-ethenyl-5-methylidenecyclopent-2-en-1-one

3-ethenyl-5-methylidenecyclopent-2-en-1-one (PubChem CID 144754943) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-ethenyl-5-methylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethenyl-5-methylidenecyclopent-2-en-1-one
PubChem CID144754943
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name3-ethenyl-5-methylidenecyclopent-2-en-1-one
SMILESC=CC1=CC(=O)C(=C)C1
InChIInChI=1S/C8H8O/c1-3-7-4-6(2)8(9)5-7/h3,5H,1-2,4H2
InChIKeyUGXUHKSYJFMKON-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methylidenecyclopent-2-en-1-one?
The IUPAC name of 3-ethenyl-5-methylidenecyclopent-2-en-1-one (CID 144754943) is 3-ethenyl-5-methylidenecyclopent-2-en-1-one.
What is the SMILES notation for 3-ethenyl-5-methylidenecyclopent-2-en-1-one?
The canonical SMILES for 3-ethenyl-5-methylidenecyclopent-2-en-1-one is C=CC1=CC(=O)C(=C)C1.
What is the InChIKey of 3-ethenyl-5-methylidenecyclopent-2-en-1-one?
The InChIKey is UGXUHKSYJFMKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-3-7-4-6(2)8(9)5-7/h3,5H,1-2,4H2.
What are the key properties of 3-ethenyl-5-methylidenecyclopent-2-en-1-one?
3-ethenyl-5-methylidenecyclopent-2-en-1-one has a molecular weight of 120.15 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methylidenecyclopent-2-en-1-one is sourced from PubChem (CID 144754943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).