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

C15H17NO3 — CID 2840871

IUPACethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3O
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)9-6-7-12-11(8-9)10-4-3-5-13(17)14(10)16-12/h6-8,13,16-17H,2-5H2,1H3
InChIKeyXOBTZBKDTWVVLX-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.71
Rot. Bonds2

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

ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 2840871) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID2840871
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3O
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)9-6-7-12-11(8-9)10-4-3-5-13(17)14(10)16-12/h6-8,13,16-17H,2-5H2,1H3
InChIKeyXOBTZBKDTWVVLX-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 2840871) is ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3O.
What is the InChIKey of ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is XOBTZBKDTWVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-19-15(18)9-6-7-12-11(8-9)10-4-3-5-13(17)14(10)16-12/h6-8,13,16-17H,2-5H2,1H3.
What are the key properties of ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
ethyl 8-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 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 2840871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).