methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate

C10H12O4 — CID 177449597

IUPACmethyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate
SMILESCOC(=O)C1C/C1=C1\CC1C(=O)OC
InChIInChI=1S/C10H12O4/c1-13-9(11)7-3-5(7)6-4-8(6)10(12)14-2/h7-8H,3-4H2,1-2H3/b6-5-
InChIKeyCCJJNYYQKSQUSU-WAYWQWQTSA-N
MW196.20 g/mol
LogP0.67
Rot. Bonds2

About methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate

methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate (PubChem CID 177449597) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate
PubChem CID177449597
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namemethyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate
SMILESCOC(=O)C1C/C1=C1\CC1C(=O)OC
InChIInChI=1S/C10H12O4/c1-13-9(11)7-3-5(7)6-4-8(6)10(12)14-2/h7-8H,3-4H2,1-2H3/b6-5-
InChIKeyCCJJNYYQKSQUSU-WAYWQWQTSA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (1S,4R)-4-methyl-2-oxocyclopentane-1-carboxylate
CID 34177212
dimethyl 4,6-dioxocyclohexane-1,3-dicarboxylate
CID 142217658
dimethyl (1R,3S,5R,7S)-2,6-dioxobicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 721750
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303
dimethyl (1R,3S,5R,7R)-1,5-dimethyl-2,6-dioxobicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 92543360
methyl 5-hydroxy-2-oxocyclohexane-1-carboxylate
CID 71336959
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl (3R)-2-oxooxolane-3-carboxylate
CID 86310576
methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130028820

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate?
The IUPAC name of methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate (CID 177449597) is methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate?
The canonical SMILES for methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate is COC(=O)C1C/C1=C1\CC1C(=O)OC.
What is the InChIKey of methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate?
The InChIKey is CCJJNYYQKSQUSU-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-9(11)7-3-5(7)6-4-8(6)10(12)14-2/h7-8H,3-4H2,1-2H3/b6-5-.
What are the key properties of methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate?
methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate has a molecular weight of 196.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate is sourced from PubChem (CID 177449597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).