methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate

C17H21NO5 — CID 167310979

IUPACmethyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate
SMILESC=C(OCC)c1cc2c(cc1C(=O)OC)N(C)C(=O)C2(C)OC
InChIInChI=1S/C17H21NO5/c1-7-23-10(2)11-8-13-14(9-12(11)15(19)21-5)18(4)16(20)17(13,3)22-6/h8-9H,2,7H2,1,3-6H3
InChIKeyDMYOQISXFJVPRB-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.32
Rot. Bonds5

About methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate

methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate (PubChem CID 167310979) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate
PubChem CID167310979
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namemethyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate
SMILESC=C(OCC)c1cc2c(cc1C(=O)OC)N(C)C(=O)C2(C)OC
InChIInChI=1S/C17H21NO5/c1-7-23-10(2)11-8-13-14(9-12(11)15(19)21-5)18(4)16(20)17(13,3)22-6/h8-9H,2,7H2,1,3-6H3
InChIKeyDMYOQISXFJVPRB-UHFFFAOYSA-N
XLogP2.32
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2355571
Methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate
CID 156537251
Methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate
CID 167311040
Methyl 3,3-bis(fluoromethyl)-1-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoindole-5-carboxylate
CID 178945940
Ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate
CID 135067596
Ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate
CID 135068315
methyl (E)-4-(3-ethenyl-1-methyl-2-oxoindol-3-yl)oxybut-2-enoate
CID 139218286
methyl (E)-4-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)oxybut-2-enoate
CID 139218288
methyl 4-[(2,5-dimethyl-2'-oxospiro[3,6-dihydro-2H-oxepine-7,3'-indole]-1'-yl)methyl]benzoate
CID 75307739
methyl 4-[(6-methyl-2'-oxospiro[3,6-dihydro-2H-oxepine-7,3'-indole]-1'-yl)methyl]benzoate
CID 75307837
Cmld-BU5561
CID 49858902
methyl 4-[[(6S,7R)-6-methyl-2'-oxospiro[3,6-dihydro-2H-oxepine-7,3'-indole]-1'-yl]methyl]benzoate
CID 49859224

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate?
The IUPAC name of methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate (CID 167310979) is methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate.
What is the SMILES notation for methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate?
The canonical SMILES for methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate is C=C(OCC)c1cc2c(cc1C(=O)OC)N(C)C(=O)C2(C)OC.
What is the InChIKey of methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate?
The InChIKey is DMYOQISXFJVPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-7-23-10(2)11-8-13-14(9-12(11)15(19)21-5)18(4)16(20)17(13,3)22-6/h8-9H,2,7H2,1,3-6H3.
What are the key properties of methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate?
methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-ethoxyethenyl)-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate is sourced from PubChem (CID 167310979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).