3-methylcyclopentene-1,2-dicarboxylic acid

C8H10O4 — CID 4162485

IUPAC3-methylcyclopentene-1,2-dicarboxylic acid
SMILESCC1CCC(C(=O)O)=C1C(=O)O
InChIInChI=1S/C8H10O4/c1-4-2-3-5(7(9)10)6(4)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyOEVBZISGAKURFA-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.88
Rot. Bonds2

About 3-methylcyclopentene-1,2-dicarboxylic acid

3-methylcyclopentene-1,2-dicarboxylic acid (PubChem CID 4162485) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-methylcyclopentene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-methylcyclopentene-1,2-dicarboxylic acid
PubChem CID4162485
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3-methylcyclopentene-1,2-dicarboxylic acid
SMILESCC1CCC(C(=O)O)=C1C(=O)O
InChIInChI=1S/C8H10O4/c1-4-2-3-5(7(9)10)6(4)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyOEVBZISGAKURFA-UHFFFAOYSA-N
XLogP0.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylcyclohexene-1,2,3-tricarboxylic acid
CID 22608859
cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid
CID 54208574
2-bromo-3-methylcyclopentene-1-carboxylate
CID 155906082
(1Z)-cyclooctene-1,2,3-tricarboxylic acid
CID 121331499
4-hydroxycyclohexene-1,2-dicarboxylic acid
CID 21297077
2-methoxycarbonyl-4-methylcyclohexene-1-carboxylic acid
CID 67483109
3-methoxycarbonylcyclohexene-1,2-dicarboxylic acid
CID 57311461
2-chloro-5-methylcyclohexene-1-carboxylic acid
CID 43154595
2-[(4-chlorophenyl)carbamoyl]-6-methylcyclohexene-1-carboxylic acid
CID 70360300
bis(3-methyl-2-(2-methylprop-1-enyl)cyclohexene-1-carboxylic acid);zinc
CID 164850578
bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid
CID 14967332
cyclohexene-1,2-dicarboxylic acid
CID 6958

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentene-1,2-dicarboxylic acid?
The IUPAC name of 3-methylcyclopentene-1,2-dicarboxylic acid (CID 4162485) is 3-methylcyclopentene-1,2-dicarboxylic acid.
What is the SMILES notation for 3-methylcyclopentene-1,2-dicarboxylic acid?
The canonical SMILES for 3-methylcyclopentene-1,2-dicarboxylic acid is CC1CCC(C(=O)O)=C1C(=O)O.
What is the InChIKey of 3-methylcyclopentene-1,2-dicarboxylic acid?
The InChIKey is OEVBZISGAKURFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-4-2-3-5(7(9)10)6(4)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-methylcyclopentene-1,2-dicarboxylic acid?
3-methylcyclopentene-1,2-dicarboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentene-1,2-dicarboxylic acid is sourced from PubChem (CID 4162485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).