ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C15H17NO3 — CID 23765459

IUPACethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)C(O)CCC3
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)9-6-7-11-10(8-9)14-12(16-11)4-3-5-13(14)17/h6-8,13,16-17H,2-5H2,1H3
InChIKeyGFFMNXPWMMWIFM-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.71
Rot. Bonds2

About ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 23765459) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID23765459
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)C(O)CCC3
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)9-6-7-11-10(8-9)14-12(16-11)4-3-5-13(14)17/h6-8,13,16-17H,2-5H2,1H3
InChIKeyGFFMNXPWMMWIFM-UHFFFAOYSA-N
XLogP2.71
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.71
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

6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452698
ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 26342306
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 2-cyclopropyl-1H-indole-5-carboxylate
CID 155891220
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84630858
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 9117094
ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 12891788
[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2649013
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
ethyl 2-methyl-3-(sulfanylmethoxy)-1H-indole-5-carboxylate
CID 57004484

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 23765459) is ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CCOC(=O)c1ccc2[nH]c3c(c2c1)C(O)CCC3.
What is the InChIKey of ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is GFFMNXPWMMWIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-19-15(18)9-6-7-11-10(8-9)14-12(16-11)4-3-5-13(14)17/h6-8,13,16-17H,2-5H2,1H3.
What are the key properties of ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 23765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).