3-methylidenecyclobutane-1,1-dicarboxylic acid

C7H8O4 — CID 130847323

IUPAC3-methylidenecyclobutane-1,1-dicarboxylic acid
SMILESC=C1CC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C7H8O4/c1-4-2-7(3-4,5(8)9)6(10)11/h1-3H2,(H,8,9)(H,10,11)
InChIKeyOWOCGQANDMJCDN-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.49
Rot. Bonds2

About 3-methylidenecyclobutane-1,1-dicarboxylic acid

3-methylidenecyclobutane-1,1-dicarboxylic acid (PubChem CID 130847323) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-methylidenecyclobutane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name3-methylidenecyclobutane-1,1-dicarboxylic acid
PubChem CID130847323
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name3-methylidenecyclobutane-1,1-dicarboxylic acid
SMILESC=C1CC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C7H8O4/c1-4-2-7(3-4,5(8)9)6(10)11/h1-3H2,(H,8,9)(H,10,11)
InChIKeyOWOCGQANDMJCDN-UHFFFAOYSA-N
XLogP0.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenecyclobutane-1,1-dicarboxylic acid?
The IUPAC name of 3-methylidenecyclobutane-1,1-dicarboxylic acid (CID 130847323) is 3-methylidenecyclobutane-1,1-dicarboxylic acid.
What is the SMILES notation for 3-methylidenecyclobutane-1,1-dicarboxylic acid?
The canonical SMILES for 3-methylidenecyclobutane-1,1-dicarboxylic acid is C=C1CC(C(=O)O)(C(=O)O)C1.
What is the InChIKey of 3-methylidenecyclobutane-1,1-dicarboxylic acid?
The InChIKey is OWOCGQANDMJCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-4-2-7(3-4,5(8)9)6(10)11/h1-3H2,(H,8,9)(H,10,11).
What are the key properties of 3-methylidenecyclobutane-1,1-dicarboxylic acid?
3-methylidenecyclobutane-1,1-dicarboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenecyclobutane-1,1-dicarboxylic acid is sourced from PubChem (CID 130847323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).