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

C15H17NO2 — CID 3147768

IUPACmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C15H17NO2/c1-9-3-5-13-11(7-9)12-8-10(15(17)18-2)4-6-14(12)16-13/h4,6,8-9,16H,3,5,7H2,1-2H3
InChIKeyPBNPCLVYISOWED-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.08
Rot. Bonds1

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

methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 3147768) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID3147768
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C15H17NO2/c1-9-3-5-13-11(7-9)12-8-10(15(17)18-2)4-6-14(12)16-13/h4,6,8-9,16H,3,5,7H2,1-2H3
InChIKeyPBNPCLVYISOWED-UHFFFAOYSA-N
XLogP3.08
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 3147768) is methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is COC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3.
What is the InChIKey of methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is PBNPCLVYISOWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-3-5-13-11(7-9)12-8-10(15(17)18-2)4-6-14(12)16-13/h4,6,8-9,16H,3,5,7H2,1-2H3.
What are the key properties of methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 3147768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).