ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate

C14H15NO5 — CID 10660135

IUPACethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=O
InChIInChI=1S/C14H15NO5/c1-4-20-14(17)13-9(7-16)8-5-11(18-2)12(19-3)6-10(8)15-13/h5-7,15H,4H2,1-3H3
InChIKeyNKPAAASBWDKXRV-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.17
Rot. Bonds5

About ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate

ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate (PubChem CID 10660135) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
PubChem CID10660135
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Nameethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=O
InChIInChI=1S/C14H15NO5/c1-4-20-14(17)13-9(7-16)8-5-11(18-2)12(19-3)6-10(8)15-13/h5-7,15H,4H2,1-3H3
InChIKeyNKPAAASBWDKXRV-UHFFFAOYSA-N
XLogP2.17
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
CID 6954124
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
ethyl 6-bromo-3-formyl-1H-indole-2-carboxylate
CID 4286839
ethyl 5-(dimethylamino)-3-formyl-1H-indole-2-carboxylate
CID 82214174
2-O-ethyl 5-O-propyl 3-formyl-1H-indole-2,5-dicarboxylate
CID 82214170
ethyl 3-formyl-4-methoxy-5,7-dimethyl-1H-indole-2-carboxylate
CID 4023028
4-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-4-oxobutanoic acid
CID 20885070
ethyl 3-formyl-4,6-dimethyl-1H-indole-2-carboxylate
CID 3301707
[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 2002344
ethyl 5,6-dimethoxy-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxylate
CID 67550092
ethyl 5-formyl-3-methyl-1H-pyrrole-2-carboxylate
CID 1113514
ethyl 6-chloro-3-formyl-1H-indole-2-carboxylate;ethyl 6-chloro-1H-indole-2-carboxylate
CID 158792265

Frequently Asked Questions

What is the IUPAC name of ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate (CID 10660135) is ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=O.
What is the InChIKey of ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
The InChIKey is NKPAAASBWDKXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-4-20-14(17)13-9(7-16)8-5-11(18-2)12(19-3)6-10(8)15-13/h5-7,15H,4H2,1-3H3.
What are the key properties of ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate?
ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 10660135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).