ethyl 5-methoxy-1H-indole-2-carboxylate

C12H13NO3 — CID 20926

IUPACethyl 5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3
InChIKeyNPIUAXNFAUGNHP-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.35
Rot. Bonds3

About ethyl 5-methoxy-1H-indole-2-carboxylate

ethyl 5-methoxy-1H-indole-2-carboxylate (PubChem CID 20926) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 5-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-1H-indole-2-carboxylate
PubChem CID20926
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl 5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3
InChIKeyNPIUAXNFAUGNHP-UHFFFAOYSA-N
XLogP2.35
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-methoxy-1H-indole-2-carboxylate (CID 20926) is ethyl 5-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-methoxy-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(OC)ccc2[nH]1.
What is the InChIKey of ethyl 5-methoxy-1H-indole-2-carboxylate?
The InChIKey is NPIUAXNFAUGNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3.
What are the key properties of ethyl 5-methoxy-1H-indole-2-carboxylate?
ethyl 5-methoxy-1H-indole-2-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 20926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).