cyclopentene-1,3-dicarboxylic acid

C7H8O4 — CID 10866576

IUPACcyclopentene-1,3-dicarboxylic acid
SMILESO=C(O)C1=CC(C(=O)O)CC1
InChIInChI=1S/C7H8O4/c8-6(9)4-1-2-5(3-4)7(10)11/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyRHZRTUBSBQHAEY-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.49
Rot. Bonds2

About cyclopentene-1,3-dicarboxylic acid

cyclopentene-1,3-dicarboxylic acid (PubChem CID 10866576) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is cyclopentene-1,3-dicarboxylic acid.

Molecular Properties

Compound Namecyclopentene-1,3-dicarboxylic acid
PubChem CID10866576
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Namecyclopentene-1,3-dicarboxylic acid
SMILESO=C(O)C1=CC(C(=O)O)CC1
InChIInChI=1S/C7H8O4/c8-6(9)4-1-2-5(3-4)7(10)11/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyRHZRTUBSBQHAEY-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

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Related Compounds

3-methylcyclopentene-1-carboxylic acid
CID 12779737
3-methylcyclotetradec-2-ene-1-carboxylic acid
CID 123696778
1,3-dioxo-3a,6,7,7a-tetrahydro-2-benzofuran-5-carboxylic acid
CID 87733258
4-hydroxycyclohexene-1-carboxylic acid
CID 45116548
(3S)-3-ethylcyclohexene-1-carboxylic acid
CID 159993912
6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105492659
(1S,2Z,6S,10R)-6-hydroxy-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
CID 162985065
(3S)-3-chlorocyclobutene-1-carboxylic acid
CID 134533701
(3R,4S,5R)-3-deuterio-3,4,5-trihydroxycyclohexene-1-carboxylic acid
CID 59869332
(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid
CID 130944939
(4E)-1-oxo-3a,6,7,8,9,9a-hexahydro-3H-cycloocta[c]furan-5-carboxylic acid
CID 100987288
5-ethoxycyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 126711810

Frequently Asked Questions

What is the IUPAC name of cyclopentene-1,3-dicarboxylic acid?
The IUPAC name of cyclopentene-1,3-dicarboxylic acid (CID 10866576) is cyclopentene-1,3-dicarboxylic acid.
What is the SMILES notation for cyclopentene-1,3-dicarboxylic acid?
The canonical SMILES for cyclopentene-1,3-dicarboxylic acid is O=C(O)C1=CC(C(=O)O)CC1.
What is the InChIKey of cyclopentene-1,3-dicarboxylic acid?
The InChIKey is RHZRTUBSBQHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-6(9)4-1-2-5(3-4)7(10)11/h3-4H,1-2H2,(H,8,9)(H,10,11).
What are the key properties of cyclopentene-1,3-dicarboxylic acid?
cyclopentene-1,3-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 cyclopentene-1,3-dicarboxylic acid is sourced from PubChem (CID 10866576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).