methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

C15H17NO2 — CID 84613051

IUPACmethyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)C1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C15H17NO2/c1-16-13-6-4-3-5-11(13)12-9-10(15(17)18-2)7-8-14(12)16/h3-6,10H,7-9H2,1-2H3
InChIKeyWRPHCEKIKPIBDC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds1

About methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate (PubChem CID 84613051) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
PubChem CID84613051
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)C1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C15H17NO2/c1-16-13-6-4-3-5-11(13)12-9-10(15(17)18-2)7-8-14(12)16/h3-6,10H,7-9H2,1-2H3
InChIKeyWRPHCEKIKPIBDC-UHFFFAOYSA-N
XLogP2.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate (CID 84613051) is methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate is COC(=O)C1CCc2c(c3ccccc3n2C)C1.
What is the InChIKey of methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The InChIKey is WRPHCEKIKPIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-13-6-4-3-5-11(13)12-9-10(15(17)18-2)7-8-14(12)16/h3-6,10H,7-9H2,1-2H3.
What are the key properties of methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 84613051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).