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

C15H17NO2 — CID 827439

IUPACethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h7-9,16H,2-6H2,1H3
InChIKeyMCTFKFAJCCQSRS-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.22
Rot. Bonds2

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

ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 827439) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID827439
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h7-9,16H,2-6H2,1H3
InChIKeyMCTFKFAJCCQSRS-UHFFFAOYSA-N
XLogP3.22
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 827439) is ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is MCTFKFAJCCQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-15(17)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h7-9,16H,2-6H2,1H3.
What are the key properties of ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 827439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).