methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate

C16H15NO4 — CID 135015959

IUPACmethyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate
SMILESCOC(=O)C12C=C(C)OC1C21C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H15NO4/c1-9-8-15(14(19)20-3)12(21-9)16(15)10-6-4-5-7-11(10)17(2)13(16)18/h4-8,12H,1-3H3
InChIKeyHUKGNPHAMMVTFT-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.38
Rot. Bonds1

About methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate

methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate (PubChem CID 135015959) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate.

Molecular Properties

Compound Namemethyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate
PubChem CID135015959
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate
SMILESCOC(=O)C12C=C(C)OC1C21C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H15NO4/c1-9-8-15(14(19)20-3)12(21-9)16(15)10-6-4-5-7-11(10)17(2)13(16)18/h4-8,12H,1-3H3
InChIKeyHUKGNPHAMMVTFT-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate with MolForge

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Related Compounds

ethyl (1S,3S)-3-benzoyl-1'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
CID 122194592
ethyl (1S,3S)-1'-methyl-3-(4-methylbenzoyl)-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
CID 122194594
diethyl (1S,2S)-1'-methyl-2'-oxospiro[cyclopropane-3,3'-indole]-1,2-dicarboxylate
CID 122193086
ethyl (1S,2S,3S,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127048745
ethyl (1S,2R,3R,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127050948
3H-Indole-3,3-diacetic acid, 1,2-dihydro-1-methyl-2-oxo-, diethyl ester
CID 244860
ethyl (2'S,3R,4'S,5'S)-2'-ethyl-5-fluoro-5'-methyl-2-oxo-5',6'-dihydro-2'H,4'H-spiro[indoline-3,3'-pyran]-4'-carboxylate
CID 132561540
methyl (2S,3S)-4-formyl-1'-methyl-2'-oxo-2-(trifluoromethyl)spiro[furan-3,3'-indole]-2-carboxylate
CID 134948779
(3S)-5-fluoro-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
CID 135038910
ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate
CID 10994234
ethyl 2-[(3R)-3-[(3R)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate
CID 11016059
5-fluoro-1'-pentylspiro[5,6-dihydro-2H-1-benzofuran-3,3'-indole]-2'-one
CID 68345954

Frequently Asked Questions

What is the IUPAC name of methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate?
The IUPAC name of methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate (CID 135015959) is methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate.
What is the SMILES notation for methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate?
The canonical SMILES for methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate is COC(=O)C12C=C(C)OC1C21C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate?
The InChIKey is HUKGNPHAMMVTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-8-15(14(19)20-3)12(21-9)16(15)10-6-4-5-7-11(10)17(2)13(16)18/h4-8,12H,1-3H3.
What are the key properties of methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate?
methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1',3-dimethyl-2'-oxospiro[2-oxabicyclo[3.1.0]hex-3-ene-6,3'-indole]-5-carboxylate is sourced from PubChem (CID 135015959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).