methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate

C10H16NO3- — CID 4651737

IUPACmethyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate
SMILESCOC(=O)C1=CC(C)(C)N([O-])C1(C)C
InChIInChI=1S/C10H16NO3/c1-9(2)6-7(8(12)14-5)10(3,4)11(9)13/h6H,1-5H3/q-1
InChIKeyDEYXDFJLIVWSOY-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.46
Rot. Bonds1

About methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate

methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate (PubChem CID 4651737) has the molecular formula C10H16NO3- and a molecular weight of 198.24 g/mol. Its IUPAC name is methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate
PubChem CID4651737
Molecular FormulaC10H16NO3-
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Namemethyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate
SMILESCOC(=O)C1=CC(C)(C)N([O-])C1(C)C
InChIInChI=1S/C10H16NO3/c1-9(2)6-7(8(12)14-5)10(3,4)11(9)13/h6H,1-5H3/q-1
InChIKeyDEYXDFJLIVWSOY-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3,3,4,4-tetrafluorocyclobutene-1-carboxylate
CID 154176405
2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
CID 91987819
methyl 4,4,6,6-tetramethyl-3,5-dioxocyclohexene-1-carboxylate
CID 11356547
methyl (1R,4S,6S)-1,4,6-trimethyl-2,3,5-trioxabicyclo[2.2.2]oct-7-ene-8-carboxylate
CID 56641258
methyl 1-butyl-2,2-dimethyl-5-oxopyrrole-3-carboxylate
CID 100961005
methyl 3,3-dimethyl-6-oxocyclohexa-1,4-diene-1-carboxylate
CID 10965121
methyl (1R,4R)-1-hydroxy-5,8,8-trimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate
CID 10822911
methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11644394
dimethyl 3,6-dimethoxycyclohexa-1,4-diene-1,2-dicarboxylate
CID 15577366
dimethyl 2-(2-methoxy-2-oxoethyl)-2,5-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate
CID 90367564
methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate
CID 11075094
methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11493107

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate?
The IUPAC name of methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate (CID 4651737) is methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate?
The canonical SMILES for methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate is COC(=O)C1=CC(C)(C)N([O-])C1(C)C.
What is the InChIKey of methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate?
The InChIKey is DEYXDFJLIVWSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3/c1-9(2)6-7(8(12)14-5)10(3,4)11(9)13/h6H,1-5H3/q-1.
What are the key properties of methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate?
methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate has a molecular weight of 198.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate is sourced from PubChem (CID 4651737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).