cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

C10H14O3 — CID 124835796

IUPACcis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESC[C@@H]1C[C@@H]1C(=O)OC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C10H14O3/c1-5-3-7(5)9(11)13-10(12)8-4-6(8)2/h5-8H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKeyUPWQEUMJRMEGGL-XUTVFYLZSA-N
MW182.22 g/mol
LogP1.37
Rot. Bonds2

About cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 124835796) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
PubChem CID124835796
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namecis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESC[C@@H]1C[C@@H]1C(=O)OC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C10H14O3/c1-5-3-7(5)9(11)13-10(12)8-4-6(8)2/h5-8H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKeyUPWQEUMJRMEGGL-XUTVFYLZSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (CID 124835796) is cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is C[C@@H]1C[C@@H]1C(=O)OC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The InChIKey is UPWQEUMJRMEGGL-XUTVFYLZSA-N. The full InChI is InChI=1S/C10H14O3/c1-5-3-7(5)9(11)13-10(12)8-4-6(8)2/h5-8H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1.
What are the key properties of cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 124835796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).