2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate

C10H13O3- — CID 57339248

IUPAC2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
SMILESCC1=CC(=O)[C@H](CC(=O)[O-])C1(C)C
InChIInChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1/t7-/m0/s1
InChIKeyUJJNLVMCZZZXFW-ZETCQYMHSA-M
MW181.21 g/mol
LogP0.30
Rot. Bonds2

About 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate

2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate (PubChem CID 57339248) has the molecular formula C10H13O3- and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate.

Molecular Properties

Compound Name2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
PubChem CID57339248
Molecular FormulaC10H13O3-
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
SMILESCC1=CC(=O)[C@H](CC(=O)[O-])C1(C)C
InChIInChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1/t7-/m0/s1
InChIKeyUJJNLVMCZZZXFW-ZETCQYMHSA-M
XLogP0.30
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate?
The IUPAC name of 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate (CID 57339248) is 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate.
What is the SMILES notation for 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate?
The canonical SMILES for 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate is CC1=CC(=O)[C@H](CC(=O)[O-])C1(C)C.
What is the InChIKey of 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate?
The InChIKey is UJJNLVMCZZZXFW-ZETCQYMHSA-M. The full InChI is InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1/t7-/m0/s1.
What are the key properties of 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate?
2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate has a molecular weight of 181.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate is sourced from PubChem (CID 57339248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).