9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole

C16H21N — CID 59934239

IUPAC9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole
SMILESCCn1c2c(c3c(C)cccc31)C(C)CCC2
InChIInChI=1S/C16H21N/c1-4-17-13-9-5-7-11(2)15(13)16-12(3)8-6-10-14(16)17/h5,7,9,12H,4,6,8,10H2,1-3H3
InChIKeyGDQUUAKJDHREBM-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.41
Rot. Bonds1

About 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole

9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 59934239) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole
PubChem CID59934239
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole
SMILESCCn1c2c(c3c(C)cccc31)C(C)CCC2
InChIInChI=1S/C16H21N/c1-4-17-13-9-5-7-11(2)15(13)16-12(3)8-6-10-14(16)17/h5,7,9,12H,4,6,8,10H2,1-3H3
InChIKeyGDQUUAKJDHREBM-UHFFFAOYSA-N
XLogP4.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole (CID 59934239) is 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole is CCn1c2c(c3c(C)cccc31)C(C)CCC2.
What is the InChIKey of 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is GDQUUAKJDHREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-17-13-9-5-7-11(2)15(13)16-12(3)8-6-10-14(16)17/h5,7,9,12H,4,6,8,10H2,1-3H3.
What are the key properties of 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole?
9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 227.35 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 59934239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).