methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate

C12H13NO6 — CID 134963855

IUPACmethyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)C=C[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C12H13NO6/c1-18-11(16)9-6-7(14)2-3-8(9)10(15)13-4-5-19-12(13)17/h2-3,8-9H,4-6H2,1H3/t8-,9-/m1/s1
InChIKeyXMWGDLCIKUWYSI-RKDXNWHRSA-N
MW267.24 g/mol
LogP-0.10
Rot. Bonds2

About methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate

methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate (PubChem CID 134963855) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
PubChem CID134963855
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Namemethyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)C=C[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C12H13NO6/c1-18-11(16)9-6-7(14)2-3-8(9)10(15)13-4-5-19-12(13)17/h2-3,8-9H,4-6H2,1H3/t8-,9-/m1/s1
InChIKeyXMWGDLCIKUWYSI-RKDXNWHRSA-N
XLogP-0.10
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
CID 134922721
methyl 3,3-dimethoxy-2-(2-sulfanylidene-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
CID 139845105
3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 101221348
methyl (1S,5R,6S)-8-methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carboxylate
CID 100989631
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
methyl (5-oxo-2H-pyran-2-yl) carbonate
CID 14474060
methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 100919296
3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 22847903
methyl (3aR,7aS)-2,6-dioxo-7,7a-dihydro-3aH-1,3-benzoxazole-3-carboxylate
CID 102260066
[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate
CID 134208502
methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22944649
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate (CID 134963855) is methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CC(=O)C=C[C@H]1C(=O)N1CCOC1=O.
What is the InChIKey of methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is XMWGDLCIKUWYSI-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H13NO6/c1-18-11(16)9-6-7(14)2-3-8(9)10(15)13-4-5-19-12(13)17/h2-3,8-9H,4-6H2,1H3/t8-,9-/m1/s1.
What are the key properties of methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate?
methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 267.24 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 134963855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).