ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate

C12H13NO3 — CID 68865271

IUPACethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(O)cc2c1C
InChIInChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)9-6-8(14)4-5-10(9)13-11/h4-6,13-14H,3H2,1-2H3
InChIKeySGQOUSKUTSTSAL-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.36
Rot. Bonds2

About ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate

ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate (PubChem CID 68865271) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
PubChem CID68865271
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(O)cc2c1C
InChIInChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)9-6-8(14)4-5-10(9)13-11/h4-6,13-14H,3H2,1-2H3
InChIKeySGQOUSKUTSTSAL-UHFFFAOYSA-N
XLogP2.36
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 10314040
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
ethyl 5-(dibenzylamino)-3-methyl-1H-indole-2-carboxylate
CID 102170436
ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134017
ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
CID 10052698
2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498
ethyl 5-cyano-3-fluoro-1H-indole-2-carboxylate
CID 71235439

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate (CID 68865271) is ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(O)cc2c1C.
What is the InChIKey of ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate?
The InChIKey is SGQOUSKUTSTSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)9-6-8(14)4-5-10(9)13-11/h4-6,13-14H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate?
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 68865271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).