5-methylcyclopentene-1-carboxylic acid

C7H10O2 — CID 557307

IUPAC5-methylcyclopentene-1-carboxylic acid
SMILESCC1CCC=C1C(=O)O
InChIInChI=1S/C7H10O2/c1-5-3-2-4-6(5)7(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyWDJACUIKSWQWOE-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds1

About 5-methylcyclopentene-1-carboxylic acid

5-methylcyclopentene-1-carboxylic acid (PubChem CID 557307) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 5-methylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name5-methylcyclopentene-1-carboxylic acid
PubChem CID557307
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name5-methylcyclopentene-1-carboxylic acid
SMILESCC1CCC=C1C(=O)O
InChIInChI=1S/C7H10O2/c1-5-3-2-4-6(5)7(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyWDJACUIKSWQWOE-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Perillic Acid
CID 1256
(S)-(-)-Perillic acid
CID 2724160
1-Cyclopentene-1-carboxylic acid
CID 95964
Perillic Acid (-)
CID 5702197
4-Methylcyclohex-1-ene-1-carboxylic acid
CID 219389
6-Methylcyclohex-1-ene-1-carboxylic acid
CID 10888002
2-Sec-butyl-2-butenedioic acid
CID 5920623
(2E)-2-propylidenehexanoic acid
CID 15445734
Germacra-1(10),4,11(13)-trien-12-oic acid
CID 25245825
2-Cyclohexylbut-2-enoic acid
CID 67419349
(2E)-2-Butyl-2-butenedioic acid
CID 5355091
3-Methylcyclobut-1-ene-1-carboxylic acid
CID 14693477

Frequently Asked Questions

What is the IUPAC name of 5-methylcyclopentene-1-carboxylic acid?
The IUPAC name of 5-methylcyclopentene-1-carboxylic acid (CID 557307) is 5-methylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 5-methylcyclopentene-1-carboxylic acid?
The canonical SMILES for 5-methylcyclopentene-1-carboxylic acid is CC1CCC=C1C(=O)O.
What is the InChIKey of 5-methylcyclopentene-1-carboxylic acid?
The InChIKey is WDJACUIKSWQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-2-4-6(5)7(8)9/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 5-methylcyclopentene-1-carboxylic acid?
5-methylcyclopentene-1-carboxylic acid has a molecular weight of 126.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 557307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).