methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate

C17H13NO2Se — CID 10545221

IUPACmethyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate
SMILESCOC(=O)c1cc2ccc3c(c4ccccc4n3C)c2[se]1
InChIInChI=1S/C17H13NO2Se/c1-18-12-6-4-3-5-11(12)15-13(18)8-7-10-9-14(17(19)20-2)21-16(10)15/h3-9H,1-2H3
InChIKeyOJPRYBRDHSVTCK-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.33
Rot. Bonds1

About methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate

methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate (PubChem CID 10545221) has the molecular formula C17H13NO2Se and a molecular weight of 342.26 g/mol. Its IUPAC name is methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate
PubChem CID10545221
Molecular FormulaC17H13NO2Se
Molecular Weight342.26 g/mol
Exact Mass343.01
IUPAC Namemethyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate
SMILESCOC(=O)c1cc2ccc3c(c4ccccc4n3C)c2[se]1
InChIInChI=1S/C17H13NO2Se/c1-18-12-6-4-3-5-11(12)15-13(18)8-7-10-9-14(17(19)20-2)21-16(10)15/h3-9H,1-2H3
InChIKeyOJPRYBRDHSVTCK-UHFFFAOYSA-N
XLogP3.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Methyl Carbazole-3-Carboxylate
CID 504069
Indocate
CID 65776
1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
Amindocate
CID 178144
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
ethyl 9H-carbazole-3-carboxylate
CID 1935506
1,2,3-Trimethyl-1H-indole-5-carboxylic acid
CID 609042
1(3H)-Isobenzofuranone, 3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-
CID 173481
methyl 1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-5-carboxylate
CID 5327679
diselenobis(1H-indole) deriv. 22
CID 5328099
1-benzyl-2,3-dimethyl-1H-indole-7-carboxylic acid
CID 44564825
2-(Dimethylamino)ethyl 2,3-dimethyl-1-benzylindole-5-carboxylate, butanedioic acid
CID 16187245

Frequently Asked Questions

What is the IUPAC name of methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate?
The IUPAC name of methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate (CID 10545221) is methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate.
What is the SMILES notation for methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate?
The canonical SMILES for methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate is COC(=O)c1cc2ccc3c(c4ccccc4n3C)c2[se]1.
What is the InChIKey of methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate?
The InChIKey is OJPRYBRDHSVTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2Se/c1-18-12-6-4-3-5-11(12)15-13(18)8-7-10-9-14(17(19)20-2)21-16(10)15/h3-9H,1-2H3.
What are the key properties of methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate?
methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate has a molecular weight of 342.26 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methylselenopheno[3,2-c]carbazole-2-carboxylate is sourced from PubChem (CID 10545221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).