1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid

C17H21NO2 — CID 175334508

IUPAC1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
SMILESCC(C)(C)C1CCCc2c1n(C(=O)O)c1ccccc21
InChIInChI=1S/C17H21NO2/c1-17(2,3)13-9-6-8-12-11-7-4-5-10-14(11)18(15(12)13)16(19)20/h4-5,7,10,13H,6,8-9H2,1-3H3,(H,19,20)
InChIKeyDQZYPIQTBCBIES-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.63
Rot. Bonds

About 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid

1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid (PubChem CID 175334508) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
PubChem CID175334508
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
SMILESCC(C)(C)C1CCCc2c1n(C(=O)O)c1ccccc21
InChIInChI=1S/C17H21NO2/c1-17(2,3)13-9-6-8-12-11-7-4-5-10-14(11)18(15(12)13)16(19)20/h4-5,7,10,13H,6,8-9H2,1-3H3,(H,19,20)
InChIKeyDQZYPIQTBCBIES-UHFFFAOYSA-N
XLogP4.63
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
CID 102311230
tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
CID 101484626
4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid
CID 166731468
1-benzyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
CID 90752239
(9-benzyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
CID 67866847
tert-butyl (1S,14S,19R)-18-oxo-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4,6,8-tetraene-3-carboxylate
CID 45103025
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
9-acetyl-3,4-dihydro-2H-carbazol-1-one
CID 853608
2,2,2-trifluoro-1-[1-methyl-9-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]ethanone
CID 102061055
tert-butyl (6R,12bS)-6-formyl-4-oxo-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizine-12-carboxylate
CID 11537930
tert-butyl (2S,5R,12bS)-2-tert-butyl-5-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-12-carboxylate
CID 15102329
2,3-dimethoxyindole-1-carboxylic acid
CID 150022896

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid?
The IUPAC name of 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid (CID 175334508) is 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid?
The canonical SMILES for 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid is CC(C)(C)C1CCCc2c1n(C(=O)O)c1ccccc21.
What is the InChIKey of 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid?
The InChIKey is DQZYPIQTBCBIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)13-9-6-8-12-11-7-4-5-10-14(11)18(15(12)13)16(19)20/h4-5,7,10,13H,6,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid?
1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 4.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid is sourced from PubChem (CID 175334508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).