dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate

C17H20O5 — CID 102279042

IUPACdimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1C1=CC(=C2CCCC2)C(=O)C1
InChIInChI=1S/C17H20O5/c1-21-15(19)17(16(20)22-2)9-13(17)11-7-12(14(18)8-11)10-5-3-4-6-10/h7,13H,3-6,8-9H2,1-2H3
InChIKeyQKNVJRXASQJZTA-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.11
Rot. Bonds3

About dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate

dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate (PubChem CID 102279042) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate
PubChem CID102279042
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Namedimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1C1=CC(=C2CCCC2)C(=O)C1
InChIInChI=1S/C17H20O5/c1-21-15(19)17(16(20)22-2)9-13(17)11-7-12(14(18)8-11)10-5-3-4-6-10/h7,13H,3-6,8-9H2,1-2H3
InChIKeyQKNVJRXASQJZTA-UHFFFAOYSA-N
XLogP2.11
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[2-(2-phenylethynyl)phenyl]cyclopropane-1,1-dicarboxylate
CID 135028383
methyl 2-(cyclohexen-1-yl)-1-methyl-5-oxocyclopentane-1-carboxylate
CID 24972285
dimethyl 2-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 132540327
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate
CID 135073558
dimethyl (2R,5R)-2-(4-chlorophenyl)-5-(1,3-dioxoisoindol-2-yl)oxolane-3,3-dicarboxylate
CID 56965034
methyl (1R,6R)-5-oxobicyclo[4.1.0]heptane-1-carboxylate
CID 11768947
methyl (1S,4aS,8aR)-1-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
CID 134975616
cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
methyl 2-(4-methoxyphenyl)-1-[(E)-2-methylbut-2-enoyl]cyclopropane-1-carboxylate
CID 102264444
methyl 2-methyl-4,5,6,7-tetrahydro-3H-1-benzoselenophene-2-carboxylate
CID 10901325

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate (CID 102279042) is dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC1C1=CC(=C2CCCC2)C(=O)C1.
What is the InChIKey of dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate?
The InChIKey is QKNVJRXASQJZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-21-15(19)17(16(20)22-2)9-13(17)11-7-12(14(18)8-11)10-5-3-4-6-10/h7,13H,3-6,8-9H2,1-2H3.
What are the key properties of dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate?
dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate has a molecular weight of 304.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-cyclopentylidene-4-oxocyclopenten-1-yl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 102279042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).