ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

C15H17BrN2O2 — CID 137374093

IUPACethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
SMILESCCOC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1
InChIInChI=1S/C15H17BrN2O2/c1-2-20-15(19)8-5-11-10-7-9(16)3-4-13(10)18-14(11)12(17)6-8/h3-4,7-8,12,18H,2,5-6,17H2,1H3
InChIKeyBOANRFMWVQYWNJ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.06
Rot. Bonds2

About ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate (PubChem CID 137374093) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
PubChem CID137374093
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Nameethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
SMILESCCOC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1
InChIInChI=1S/C15H17BrN2O2/c1-2-20-15(19)8-5-11-10-7-9(16)3-4-13(10)18-14(11)12(17)6-8/h3-4,7-8,12,18H,2,5-6,17H2,1H3
InChIKeyBOANRFMWVQYWNJ-UHFFFAOYSA-N
XLogP3.06
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboperoxoic acid
CID 153493826
bis(1-amino-N-(2-aminoethyl)-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-[6-bromo-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2,3,4,9-tetrahydro-1H-carbazol-1-yl]carbamate;ethyl 6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 159671363
bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride
CID 158313445
tert-butyl N-[6-bromo-3-(dimethylcarbamoyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]carbamate
CID 137385794
8-amino-6-propyl-6,7,8,9-tetrahydro-5H-carbazol-3-ol
CID 67638542
ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 23559459
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
ethyl 9-bromo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 66640350
methyl 6-bromo-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 66938266
ethyl 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 11855333
6-bromo-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3414756
3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 66604417

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The IUPAC name of ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate (CID 137374093) is ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The canonical SMILES for ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate is CCOC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1.
What is the InChIKey of ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The InChIKey is BOANRFMWVQYWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-2-20-15(19)8-5-11-10-7-9(16)3-4-13(10)18-14(11)12(17)6-8/h3-4,7-8,12,18H,2,5-6,17H2,1H3.
What are the key properties of ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate has a molecular weight of 337.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate is sourced from PubChem (CID 137374093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).