Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate

C₁₃H₁₇NO₅ — CID 134902762

About Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate

Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate (PubChem CID 134902762) has the molecular formula C₁₃H₁₇NO₅ and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

• Compound Name: Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
• PubChem CID: 134902762
• Molecular Formula: C₁₃H₁₇NO₅
• Molecular Weight: 267.28 g/mol
• Exact Mass: 267.11
• IUPAC Name: methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
• SMILES: COC(=O)[C@@H]1CC(C)=CCC1C(=O)N1CCOC1=O
• InChI: InChI=1S/C13H17NO5/c1-8-3-4-9(10(7-8)12(16)18-2)11(15)14-5-6-19-13(14)17/h3,9-10H,4-7H2,1-2H3/t9?,10-/m1/s1
• InChIKey: PMCCMJOMUKXQIE-QVDQXJPCSA-N
• XLogP: 1.11
• TPSA: 72.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.28
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate?

The IUPAC name of Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate (CID 134902762) is methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate.

What is the SMILES notation for Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate?

The canonical SMILES for Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CC(C)=CCC1C(=O)N1CCOC1=O.

What is the InChIKey of Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate?

The InChIKey is PMCCMJOMUKXQIE-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-3-4-9(10(7-8)12(16)18-2)11(15)14-5-6-19-13(14)17/h3,9-10H,4-7H2,1-2H3/t9?,10-/m1/s1.

What are the key properties of Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate?

Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl (1R)-3-methyl-6-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 134902762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134902762 — identifiers, structure, computed properties (public domain)

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