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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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).