(1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid

C8H10O3 — CID 93497268

IUPAC(1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid
SMILESCC1=CC(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C8H10O3/c1-5-4-6(9)2-3-7(5)8(10)11/h4,7H,2-3H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyALGPMROEJPEIRJ-SSDOTTSWSA-N
MW154.16 g/mol
LogP1.00
Rot. Bonds1

About (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid

(1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid (PubChem CID 93497268) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid
PubChem CID93497268
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid
SMILESCC1=CC(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C8H10O3/c1-5-4-6(9)2-3-7(5)8(10)11/h4,7H,2-3H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyALGPMROEJPEIRJ-SSDOTTSWSA-N
XLogP1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid?
The IUPAC name of (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid (CID 93497268) is (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid is CC1=CC(=O)CC[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid?
The InChIKey is ALGPMROEJPEIRJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-4-6(9)2-3-7(5)8(10)11/h4,7H,2-3H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid?
(1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid has a molecular weight of 154.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 93497268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).