methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate

C11H17NO3 — CID 134996344

IUPACmethyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate
SMILESC=C1ON2C(CCC2(C)C)C1C(=O)OC
InChIInChI=1S/C11H17NO3/c1-7-9(10(13)14-4)8-5-6-11(2,3)12(8)15-7/h8-9H,1,5-6H2,2-4H3
InChIKeyTVQBBLPQLWADSG-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.48
Rot. Bonds1

About methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate

methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate (PubChem CID 134996344) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate
PubChem CID134996344
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate
SMILESC=C1ON2C(CCC2(C)C)C1C(=O)OC
InChIInChI=1S/C11H17NO3/c1-7-9(10(13)14-4)8-5-6-11(2,3)12(8)15-7/h8-9H,1,5-6H2,2-4H3
InChIKeyTVQBBLPQLWADSG-UHFFFAOYSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-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 (4S)-7-methylidenespiro[2.4]heptane-4-carboxylate
CID 639206
dimethyl (1R,2S,4R,5R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate
CID 98060994
methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973
trans-dimethyl (1S,2S)-3-methylidenecyclopentane-1,2-dicarboxylate
CID 22214590
methyl (6R,7R)-2,2-dimethyl-8-oxo-3-oxa-1-azabicyclo[4.2.0]octane-7-carboxylate
CID 135057089
methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915
methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate
CID 10899080
methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate
CID 90853797
methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate
CID 170070981
dimethyl (1S,2R,4R,5S)-3,6-dioxobicyclo[2.2.2]octane-2,5-dicarboxylate
CID 98538878
dimethyl 3,3-dimethyl-1,2,5,6,7,8-hexahydropyrrolizine-1,2-dicarboxylate
CID 5200290
methyl 5,8,8-trimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
CID 597176

Frequently Asked Questions

What is the IUPAC name of methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate?
The IUPAC name of methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate (CID 134996344) is methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate.
What is the SMILES notation for methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate?
The canonical SMILES for methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate is C=C1ON2C(CCC2(C)C)C1C(=O)OC.
What is the InChIKey of methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate?
The InChIKey is TVQBBLPQLWADSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-9(10(13)14-4)8-5-6-11(2,3)12(8)15-7/h8-9H,1,5-6H2,2-4H3.
What are the key properties of methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate?
methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,6-dimethyl-2-methylidene-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate is sourced from PubChem (CID 134996344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).