[(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate

C7H8O3 — CID 130727881

IUPAC[(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate
SMILESCC1=CC(=O)C[C@@H]1OC=O
InChIInChI=1S/C7H8O3/c1-5-2-6(9)3-7(5)10-4-8/h2,4,7H,3H2,1H3/t7-/m0/s1
InChIKeyRHBYHRXNDXLXQK-ZETCQYMHSA-N
MW140.14 g/mol
LogP0.45
Rot. Bonds2

About [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate

[(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate (PubChem CID 130727881) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate.

Molecular Properties

Compound Name[(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate
PubChem CID130727881
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name[(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate
SMILESCC1=CC(=O)C[C@@H]1OC=O
InChIInChI=1S/C7H8O3/c1-5-2-6(9)3-7(5)10-4-8/h2,4,7H,3H2,1H3/t7-/m0/s1
InChIKeyRHBYHRXNDXLXQK-ZETCQYMHSA-N
XLogP0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4S)-3,4-dimethylcyclopent-2-en-1-one
CID 86310528
[(1S)-2-formyl-4-oxocyclopent-2-en-1-yl] acetate
CID 22812774
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
3-methyl-5-oxocyclohex-3-ene-1-carbaldehyde
CID 59746098
(2-oxocyclobutyl) formate
CID 173437285
(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid
CID 131142787
(5,5-dimethyl-2-oxocyclohex-3-en-1-yl) formate
CID 18320359
2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
CID 20537883
(4aR,12bR)-4-methyl-4a,12b-dihydro-1H-triphenylen-2-one
CID 10083963
(3aR,7aR)-2,2,7-trimethyl-3,3a,4,7a-tetrahydro-1H-inden-5-one
CID 11401100
diethyl 3-methyl-5-oxocyclohex-3-ene-1,2-dicarboxylate
CID 132821028
ethyl (1R,6S)-2-methyl-6-(2-methylpropyl)-4-oxocyclohex-2-ene-1-carboxylate
CID 6545980

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate?
The IUPAC name of [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate (CID 130727881) is [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate.
What is the SMILES notation for [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate?
The canonical SMILES for [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate is CC1=CC(=O)C[C@@H]1OC=O.
What is the InChIKey of [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate?
The InChIKey is RHBYHRXNDXLXQK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-2-6(9)3-7(5)10-4-8/h2,4,7H,3H2,1H3/t7-/m0/s1.
What are the key properties of [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate?
[(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate has a molecular weight of 140.14 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate is sourced from PubChem (CID 130727881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).