2-methylidenecyclopent-4-ene-1,3-dione

C6H4O2 — CID 20673964

IUPAC2-methylidenecyclopent-4-ene-1,3-dione
SMILESC=C1C(=O)C=CC1=O
InChIInChI=1S/C6H4O2/c1-4-5(7)2-3-6(4)8/h2-3H,1H2
InChIKeyBFDIWICAGSJRDZ-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.25
Rot. Bonds

About 2-methylidenecyclopent-4-ene-1,3-dione

2-methylidenecyclopent-4-ene-1,3-dione (PubChem CID 20673964) has the molecular formula C6H4O2 and a molecular weight of 108.10 g/mol. Its IUPAC name is 2-methylidenecyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name2-methylidenecyclopent-4-ene-1,3-dione
PubChem CID20673964
Molecular FormulaC6H4O2
Molecular Weight108.10 g/mol
Exact Mass108.02
IUPAC Name2-methylidenecyclopent-4-ene-1,3-dione
SMILESC=C1C(=O)C=CC1=O
InChIInChI=1S/C6H4O2/c1-4-5(7)2-3-6(4)8/h2-3H,1H2
InChIKeyBFDIWICAGSJRDZ-UHFFFAOYSA-N
XLogP0.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenecyclopent-4-ene-1,3-dione?
The IUPAC name of 2-methylidenecyclopent-4-ene-1,3-dione (CID 20673964) is 2-methylidenecyclopent-4-ene-1,3-dione.
What is the SMILES notation for 2-methylidenecyclopent-4-ene-1,3-dione?
The canonical SMILES for 2-methylidenecyclopent-4-ene-1,3-dione is C=C1C(=O)C=CC1=O.
What is the InChIKey of 2-methylidenecyclopent-4-ene-1,3-dione?
The InChIKey is BFDIWICAGSJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2/c1-4-5(7)2-3-6(4)8/h2-3H,1H2.
What are the key properties of 2-methylidenecyclopent-4-ene-1,3-dione?
2-methylidenecyclopent-4-ene-1,3-dione has a molecular weight of 108.10 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenecyclopent-4-ene-1,3-dione is sourced from PubChem (CID 20673964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).