tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate

C18H23NO2 — CID 102311230

IUPACtert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
SMILESCC1CCCc2c1n(C(=O)OC(C)(C)C)c1ccccc21
InChIInChI=1S/C18H23NO2/c1-12-8-7-10-14-13-9-5-6-11-15(13)19(16(12)14)17(20)21-18(2,3)4/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKeyPQAANCSNVRDSHH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.86
Rot. Bonds

About tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate

tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate (PubChem CID 102311230) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
PubChem CID102311230
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nametert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
SMILESCC1CCCc2c1n(C(=O)OC(C)(C)C)c1ccccc21
InChIInChI=1S/C18H23NO2/c1-12-8-7-10-14-13-9-5-6-11-15(13)19(16(12)14)17(20)21-18(2,3)4/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKeyPQAANCSNVRDSHH-UHFFFAOYSA-N
XLogP4.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1R)-1-formyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
CID 101484626
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
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
tert-butyl 8-oxo-6,7,9,10-tetrahydrocyclohepta[b]indole-5-carboxylate
CID 102202923
tert-butyl 6,9-dimethyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate
CID 102202920
1-tert-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
CID 175334508
tert-butyl (6S,12bR)-4-oxo-6-phenylselanylcarbonyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizine-12-carboxylate
CID 11306984
9-O-tert-butyl 2-O-methyl 1-(4-oxobutyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2,9-dicarboxylate
CID 11395476
tert-butyl (3R,6S,12bS)-3-ethyl-6-[(E)-hydroxyiminomethyl]-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine-12-carboxylate
CID 25212916
tert-butyl 2,3-dichloroindole-1-carboxylate
CID 122227437
2-O,9-O-ditert-butyl 3-O-methyl (1S,3S)-1-(2-methylprop-1-enyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2,3,9-tricarboxylate
CID 59052066

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The IUPAC name of tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate (CID 102311230) is tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate is CC1CCCc2c1n(C(=O)OC(C)(C)C)c1ccccc21.
What is the InChIKey of tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The InChIKey is PQAANCSNVRDSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-7-10-14-13-9-5-6-11-15(13)19(16(12)14)17(20)21-18(2,3)4/h5-6,9,11-12H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate is sourced from PubChem (CID 102311230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).