methyl 9-thiophen-2-ylcarbazole-2-carboxylate

C18H13NO2S — CID 59626526

IUPACmethyl 9-thiophen-2-ylcarbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(-c3cccs3)c2c1
InChIInChI=1S/C18H13NO2S/c1-21-18(20)12-8-9-14-13-5-2-3-6-15(13)19(16(14)11-12)17-7-4-10-22-17/h2-11H,1H3
InChIKeyPOEZTSMNCDSEAC-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.63
Rot. Bonds2

About methyl 9-thiophen-2-ylcarbazole-2-carboxylate

methyl 9-thiophen-2-ylcarbazole-2-carboxylate (PubChem CID 59626526) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 9-thiophen-2-ylcarbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-thiophen-2-ylcarbazole-2-carboxylate
PubChem CID59626526
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Namemethyl 9-thiophen-2-ylcarbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(-c3cccs3)c2c1
InChIInChI=1S/C18H13NO2S/c1-21-18(20)12-8-9-14-13-5-2-3-6-15(13)19(16(14)11-12)17-7-4-10-22-17/h2-11H,1H3
InChIKeyPOEZTSMNCDSEAC-UHFFFAOYSA-N
XLogP4.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 9-thiophen-2-ylcarbazole-2-carboxylate?
The IUPAC name of methyl 9-thiophen-2-ylcarbazole-2-carboxylate (CID 59626526) is methyl 9-thiophen-2-ylcarbazole-2-carboxylate.
What is the SMILES notation for methyl 9-thiophen-2-ylcarbazole-2-carboxylate?
The canonical SMILES for methyl 9-thiophen-2-ylcarbazole-2-carboxylate is COC(=O)c1ccc2c3ccccc3n(-c3cccs3)c2c1.
What is the InChIKey of methyl 9-thiophen-2-ylcarbazole-2-carboxylate?
The InChIKey is POEZTSMNCDSEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c1-21-18(20)12-8-9-14-13-5-2-3-6-15(13)19(16(14)11-12)17-7-4-10-22-17/h2-11H,1H3.
What are the key properties of methyl 9-thiophen-2-ylcarbazole-2-carboxylate?
methyl 9-thiophen-2-ylcarbazole-2-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-thiophen-2-ylcarbazole-2-carboxylate is sourced from PubChem (CID 59626526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).