trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate

C15H15NO4 — CID 172554100

IUPACtrans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate
SMILESCc1cccc([C@@H]2C[C@H]2C(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C15H15NO4/c1-9-3-2-4-10(7-9)11-8-12(11)15(19)20-16-13(17)5-6-14(16)18/h2-4,7,11-12H,5-6,8H2,1H3/t11-,12+/m0/s1
InChIKeyFPMVNKOEKUXOOC-NWDGAFQWSA-N
MW273.29 g/mol
LogP1.71
Rot. Bonds3

About trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate

trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 172554100) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate
PubChem CID172554100
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nametrans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate
SMILESCc1cccc([C@@H]2C[C@H]2C(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C15H15NO4/c1-9-3-2-4-10(7-9)11-8-12(11)15(19)20-16-13(17)5-6-14(16)18/h2-4,7,11-12H,5-6,8H2,1H3/t11-,12+/m0/s1
InChIKeyFPMVNKOEKUXOOC-NWDGAFQWSA-N
XLogP1.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate (CID 172554100) is trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate is Cc1cccc([C@@H]2C[C@H]2C(=O)ON2C(=O)CCC2=O)c1.
What is the InChIKey of trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is FPMVNKOEKUXOOC-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-3-2-4-10(7-9)11-8-12(11)15(19)20-16-13(17)5-6-14(16)18/h2-4,7,11-12H,5-6,8H2,1H3/t11-,12+/m0/s1.
What are the key properties of trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate?
trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2,5-dioxopyrrolidin-1-yl) (1R,2R)-2-(3-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 172554100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).