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

C14H14NO2- — CID 4052175

IUPAC6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1
InChIInChI=1S/C14H15NO2/c1-8-2-4-12-10(6-8)11-7-9(14(16)17)3-5-13(11)15-12/h3,5,7-8,15H,2,4,6H2,1H3,(H,16,17)/p-1
InChIKeyWKBUQRILUMGUTL-UHFFFAOYSA-M
MW228.27 g/mol
LogP1.66
Rot. Bonds1

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

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 4052175) has the molecular formula C14H14NO2- and a molecular weight of 228.27 g/mol. Its IUPAC name is 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Name6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID4052175
Molecular FormulaC14H14NO2-
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1
InChIInChI=1S/C14H15NO2/c1-8-2-4-12-10(6-8)11-7-9(14(16)17)3-5-13(11)15-12/h3,5,7-8,15H,2,4,6H2,1H3,(H,16,17)/p-1
InChIKeyWKBUQRILUMGUTL-UHFFFAOYSA-M
XLogP1.66
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 6930360
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
CID 51723997
N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110878264
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide
CID 41099535
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 40896802
(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41376896
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 4052175) is 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CC1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1.
What is the InChIKey of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is WKBUQRILUMGUTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15NO2/c1-8-2-4-12-10(6-8)11-7-9(14(16)17)3-5-13(11)15-12/h3,5,7-8,15H,2,4,6H2,1H3,(H,16,17)/p-1.
What are the key properties of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 4052175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).