ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate

C8H10O2 — CID 176689759

IUPACethyl (1S)-cyclopenta-2,3-diene-1-carboxylate
SMILESCCOC(=O)[C@@H]1C=C=CC1
InChIInChI=1S/C8H10O2/c1-2-10-8(9)7-5-3-4-6-7/h3,6-7H,2,5H2,1H3/t7-/m0/s1
InChIKeyXKLGDVHRRHDIDG-ZETCQYMHSA-N
MW138.17 g/mol
LogP1.28
Rot. Bonds2

About ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate

ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate (PubChem CID 176689759) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-cyclopenta-2,3-diene-1-carboxylate
PubChem CID176689759
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Nameethyl (1S)-cyclopenta-2,3-diene-1-carboxylate
SMILESCCOC(=O)[C@@H]1C=C=CC1
InChIInChI=1S/C8H10O2/c1-2-10-8(9)7-5-3-4-6-7/h3,6-7H,2,5H2,1H3/t7-/m0/s1
InChIKeyXKLGDVHRRHDIDG-ZETCQYMHSA-N
XLogP1.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
ethyl (1R)-cyclohepta-2,5-diene-1-carboxylate
CID 11788493
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
diethyl 5-methylcyclohex-4-ene-1,3-dicarboxylate
CID 66938500
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 2,3-dihydrothiophene-3-carboxylate
CID 13430681
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
diethyl 4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 564350
ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate
CID 86307720
diethyl (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 22215188
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate?
The IUPAC name of ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate (CID 176689759) is ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate.
What is the SMILES notation for ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate?
The canonical SMILES for ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate is CCOC(=O)[C@@H]1C=C=CC1.
What is the InChIKey of ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate?
The InChIKey is XKLGDVHRRHDIDG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-10-8(9)7-5-3-4-6-7/h3,6-7H,2,5H2,1H3/t7-/m0/s1.
What are the key properties of ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate?
ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate has a molecular weight of 138.17 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-cyclopenta-2,3-diene-1-carboxylate is sourced from PubChem (CID 176689759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).