4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid

C8H8O4 — CID 19754990

IUPAC4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid
SMILESC=C1C=CC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C8H8O4/c1-5-2-3-8(4-5,6(9)10)7(11)12/h2-3H,1,4H2,(H,9,10)(H,11,12)
InChIKeyWHNPTRYCHIWARF-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.66
Rot. Bonds2

About 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid

4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid (PubChem CID 19754990) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid.

Molecular Properties

Compound Name4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid
PubChem CID19754990
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid
SMILESC=C1C=CC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C8H8O4/c1-5-2-3-8(4-5,6(9)10)7(11)12/h2-3H,1,4H2,(H,9,10)(H,11,12)
InChIKeyWHNPTRYCHIWARF-UHFFFAOYSA-N
XLogP0.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4,4-dicarboxy-2-methylcyclohexa-1,5-dien-1-yl)oxyethoxy]-5-methylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 70420422
5-methyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 150376189
5-(5,5-dicarboxycyclohexa-1,3-dien-1-yl)oxycyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 138471628
5-chloro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174300311
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
2-methoxycarbonyl-1H-naphthalene-2-carboxylic acid
CID 150453340
4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid
CID 142722064
1-chloro-3-methylidenecyclobutane-1-carboxylic acid
CID 67146328
15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 59654389
4-(2-aminophenyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174885548
5-phenylcyclohexa-2,4-diene-1,1,3-tricarboxylic acid
CID 69282430
1-(1-carboxycyclobut-2-ene-1-carbonyl)oxycarbonylcyclobut-2-ene-1-carboxylic acid
CID 87233983

Frequently Asked Questions

What is the IUPAC name of 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid?
The IUPAC name of 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid (CID 19754990) is 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid.
What is the SMILES notation for 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid?
The canonical SMILES for 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid is C=C1C=CC(C(=O)O)(C(=O)O)C1.
What is the InChIKey of 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid?
The InChIKey is WHNPTRYCHIWARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-5-2-3-8(4-5,6(9)10)7(11)12/h2-3H,1,4H2,(H,9,10)(H,11,12).
What are the key properties of 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid?
4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenecyclopent-2-ene-1,1-dicarboxylic acid is sourced from PubChem (CID 19754990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).