methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate

C12H16O3 — CID 102349570

IUPACmethyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(C2=CCCC2)CCCC1=O
InChIInChI=1S/C12H16O3/c1-15-11(14)12(8-4-7-10(12)13)9-5-2-3-6-9/h5H,2-4,6-8H2,1H3/t12-/m1/s1
InChIKeyBFIWFVHXODHOJQ-GFCCVEGCSA-N
MW208.26 g/mol
LogP2.01
Rot. Bonds2

About methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate

methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate (PubChem CID 102349570) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate
PubChem CID102349570
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(C2=CCCC2)CCCC1=O
InChIInChI=1S/C12H16O3/c1-15-11(14)12(8-4-7-10(12)13)9-5-2-3-6-9/h5H,2-4,6-8H2,1H3/t12-/m1/s1
InChIKeyBFIWFVHXODHOJQ-GFCCVEGCSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate
CID 11819967
methyl (1S)-1-(4-methylphenyl)-2-oxocyclopentane-1-carboxylate
CID 164684981
methyl (1S)-2-oxo-1-thiophen-2-ylcyclopentane-1-carboxylate
CID 134967494
dimethyl (1S,2S,3S,4S,5S,6S)-1,2-di(cyclohexen-1-yl)tricyclo[3.1.0.02,4]hexane-3,6-dicarboxylate
CID 10383650
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
methyl (1R)-1-hydroxy-2-oxocyclohexane-1-carboxylate
CID 92978930
methyl (8aS,10aR)-1,1,4a-trimethyl-2-oxo-3,4,6,7,8,9,10,10a-octahydrophenanthrene-8a-carboxylate
CID 70672414
methyl spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-carboxylate
CID 12036758
methyl 7-methylidene-3,4,5,6-tetrahydro-2H-indene-3a-carboxylate
CID 13479340
methyl (4aS)-4,4-dimethyl-7-oxo-2,3,5,6-tetrahydro-1H-naphthalene-4a-carboxylate
CID 134858721
dimethyl (1R,5S)-2,6-dioxobicyclo[3.3.1]nonane-1,5-dicarboxylate
CID 727231
methyl 2-oxo-1-propylcyclopentane-1-carboxylate
CID 10535487

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate?
The IUPAC name of methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate (CID 102349570) is methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate is COC(=O)[C@@]1(C2=CCCC2)CCCC1=O.
What is the InChIKey of methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate?
The InChIKey is BFIWFVHXODHOJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O3/c1-15-11(14)12(8-4-7-10(12)13)9-5-2-3-6-9/h5H,2-4,6-8H2,1H3/t12-/m1/s1.
What are the key properties of methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate?
methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 102349570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).