methyl 7-methyl-9H-carbazole-3-carboxylate

C15H13NO2 — CID 24741168

IUPACmethyl 7-methyl-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3cc(C)ccc3c2c1
InChIInChI=1S/C15H13NO2/c1-9-3-5-11-12-8-10(15(17)18-2)4-6-13(12)16-14(11)7-9/h3-8,16H,1-2H3
InChIKeyPLQBJZTZLSCEFQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.42
Rot. Bonds1

About methyl 7-methyl-9H-carbazole-3-carboxylate

methyl 7-methyl-9H-carbazole-3-carboxylate (PubChem CID 24741168) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 7-methyl-9H-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-9H-carbazole-3-carboxylate
PubChem CID24741168
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl 7-methyl-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3cc(C)ccc3c2c1
InChIInChI=1S/C15H13NO2/c1-9-3-5-11-12-8-10(15(17)18-2)4-6-13(12)16-14(11)7-9/h3-8,16H,1-2H3
InChIKeyPLQBJZTZLSCEFQ-UHFFFAOYSA-N
XLogP3.42
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-9H-carbazole-3-carboxylate?
The IUPAC name of methyl 7-methyl-9H-carbazole-3-carboxylate (CID 24741168) is methyl 7-methyl-9H-carbazole-3-carboxylate.
What is the SMILES notation for methyl 7-methyl-9H-carbazole-3-carboxylate?
The canonical SMILES for methyl 7-methyl-9H-carbazole-3-carboxylate is COC(=O)c1ccc2[nH]c3cc(C)ccc3c2c1.
What is the InChIKey of methyl 7-methyl-9H-carbazole-3-carboxylate?
The InChIKey is PLQBJZTZLSCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-9-3-5-11-12-8-10(15(17)18-2)4-6-13(12)16-14(11)7-9/h3-8,16H,1-2H3.
What are the key properties of methyl 7-methyl-9H-carbazole-3-carboxylate?
methyl 7-methyl-9H-carbazole-3-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-9H-carbazole-3-carboxylate is sourced from PubChem (CID 24741168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).