2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole

C16H21N — CID 12733083

IUPAC2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1ccc2[nH]c3c(c2c1C)C(C)CC(C)C3
InChIInChI=1S/C16H21N/c1-9-7-11(3)15-14(8-9)17-13-6-5-10(2)12(4)16(13)15/h5-6,9,11,17H,7-8H2,1-4H3
InChIKeySSTUGWCYBVHGSS-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.47
Rot. Bonds

About 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole

2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 12733083) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID12733083
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1ccc2[nH]c3c(c2c1C)C(C)CC(C)C3
InChIInChI=1S/C16H21N/c1-9-7-11(3)15-14(8-9)17-13-6-5-10(2)12(4)16(13)15/h5-6,9,11,17H,7-8H2,1-4H3
InChIKeySSTUGWCYBVHGSS-UHFFFAOYSA-N
XLogP4.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole (CID 12733083) is 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole is Cc1ccc2[nH]c3c(c2c1C)C(C)CC(C)C3.
What is the InChIKey of 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is SSTUGWCYBVHGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-9-7-11(3)15-14(8-9)17-13-6-5-10(2)12(4)16(13)15/h5-6,9,11,17H,7-8H2,1-4H3.
What are the key properties of 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole?
2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 227.35 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 12733083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).