methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate

C10H14O3 — CID 11052272

IUPACmethyl 2-(2-oxopropyl)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(CC(C)=O)CCC1
InChIInChI=1S/C10H14O3/c1-7(11)6-8-4-3-5-9(8)10(12)13-2/h3-6H2,1-2H3
InChIKeyIYBOPEJUZHXPIR-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds3

About methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate

methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate (PubChem CID 11052272) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-oxopropyl)cyclopentene-1-carboxylate
PubChem CID11052272
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl 2-(2-oxopropyl)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(CC(C)=O)CCC1
InChIInChI=1S/C10H14O3/c1-7(11)6-8-4-3-5-9(8)10(12)13-2/h3-6H2,1-2H3
InChIKeyIYBOPEJUZHXPIR-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5,6-Tetrahydrophthalic anhydride
CID 12475
3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
CID 90634
2-Hexyl-3-methylmaleic anhydride
CID 11127184
3-Oxo-cyclohex-1-enecarboxylic acid methyl ester
CID 581049
1-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
CID 78039
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
5,6,7,8-tetrahydro-1H-cyclohepta[c]furan-1,3(4H)-dione
CID 13613754
3,4-Hexanofuran-2,5-dione
CID 88024514
3-Hexylfuran-2,5-dione
CID 15882442
3-Methyl-4-pentylfuran-2,5-dione
CID 76319690
3-(3-Oxo-cyclopent-1-enyl)-propionic acid methyl ester
CID 11182843

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate (CID 11052272) is methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate is COC(=O)C1=C(CC(C)=O)CCC1.
What is the InChIKey of methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate?
The InChIKey is IYBOPEJUZHXPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)6-8-4-3-5-9(8)10(12)13-2/h3-6H2,1-2H3.
What are the key properties of methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate?
methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxopropyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 11052272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).