(6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C17H20NO2- — CID 6930360

IUPAC(6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC(C)(C)[C@H]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1
InChIInChI=1S/C17H21NO2/c1-17(2,3)11-5-7-15-13(9-11)12-8-10(16(19)20)4-6-14(12)18-15/h4,6,8,11,18H,5,7,9H2,1-3H3,(H,19,20)/p-1/t11-/m0/s1
InChIKeyNXXWVPYKLMIUSJ-NSHDSACASA-M
MW270.35 g/mol
LogP2.68
Rot. Bonds1

About (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

(6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 6930360) has the molecular formula C17H20NO2- and a molecular weight of 270.35 g/mol. Its IUPAC name is (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Name(6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID6930360
Molecular FormulaC17H20NO2-
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC(C)(C)[C@H]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1
InChIInChI=1S/C17H21NO2/c1-17(2,3)11-5-7-15-13(9-11)12-8-10(16(19)20)4-6-14(12)18-15/h4,6,8,11,18H,5,7,9H2,1-3H3,(H,19,20)/p-1/t11-/m0/s1
InChIKeyNXXWVPYKLMIUSJ-NSHDSACASA-M
XLogP2.68
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 6930360) is (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CC(C)(C)[C@H]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1.
What is the InChIKey of (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is NXXWVPYKLMIUSJ-NSHDSACASA-M. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)11-5-7-15-13(9-11)12-8-10(16(19)20)4-6-14(12)18-15/h4,6,8,11,18H,5,7,9H2,1-3H3,(H,19,20)/p-1/t11-/m0/s1.
What are the key properties of (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
(6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-tert-butyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 6930360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).