3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

C13H11BrNO2- — CID 7074175

IUPAC3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESO=C([O-])c1cc(Br)cc2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H12BrNO2/c14-7-5-9-8-3-1-2-4-11(8)15-12(9)10(6-7)13(16)17/h5-6,15H,1-4H2,(H,16,17)/p-1
InChIKeyOWTRPKPXTZOLMN-UHFFFAOYSA-M
MW293.14 g/mol
LogP2.17
Rot. Bonds1

About 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (PubChem CID 7074175) has the molecular formula C13H11BrNO2- and a molecular weight of 293.14 g/mol. Its IUPAC name is 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Name3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
PubChem CID7074175
Molecular FormulaC13H11BrNO2-
Molecular Weight293.14 g/mol
Exact Mass292.00
IUPAC Name3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESO=C([O-])c1cc(Br)cc2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H12BrNO2/c14-7-5-9-8-3-1-2-4-11(8)15-12(9)10(6-7)13(16)17/h5-6,15H,1-4H2,(H,16,17)/p-1
InChIKeyOWTRPKPXTZOLMN-UHFFFAOYSA-M
XLogP2.17
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 104509007
6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 7451039
5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10923627
methyl 1-chloro-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 69163310
4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 130362929
3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 66604417
6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
CID 143085891
2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
CID 65335430
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 102414836
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The IUPAC name of 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (CID 7074175) is 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The canonical SMILES for 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is O=C([O-])c1cc(Br)cc2c3c([nH]c12)CCCC3.
What is the InChIKey of 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The InChIKey is OWTRPKPXTZOLMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12BrNO2/c14-7-5-9-8-3-1-2-4-11(8)15-12(9)10(6-7)13(16)17/h5-6,15H,1-4H2,(H,16,17)/p-1.
What are the key properties of 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate has a molecular weight of 293.14 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 7074175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).