4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole

C14H21N — CID 71234785

IUPAC4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
SMILESCC1CCCC2NC3=C(CCC=C3)C12C
InChIInChI=1S/C14H21N/c1-10-6-5-9-13-14(10,2)11-7-3-4-8-12(11)15-13/h4,8,10,13,15H,3,5-7,9H2,1-2H3
InChIKeyOLJWXOVWTYBPNA-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.39
Rot. Bonds

About 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole

4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole (PubChem CID 71234785) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole.

Molecular Properties

Compound Name4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
PubChem CID71234785
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
SMILESCC1CCCC2NC3=C(CCC=C3)C12C
InChIInChI=1S/C14H21N/c1-10-6-5-9-13-14(10,2)11-7-3-4-8-12(11)15-13/h4,8,10,13,15H,3,5-7,9H2,1-2H3
InChIKeyOLJWXOVWTYBPNA-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole?
The IUPAC name of 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole (CID 71234785) is 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole.
What is the SMILES notation for 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole?
The canonical SMILES for 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole is CC1CCCC2NC3=C(CCC=C3)C12C.
What is the InChIKey of 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole?
The InChIKey is OLJWXOVWTYBPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-6-5-9-13-14(10,2)11-7-3-4-8-12(11)15-13/h4,8,10,13,15H,3,5-7,9H2,1-2H3.
What are the key properties of 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole?
4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole has a molecular weight of 203.33 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole is sourced from PubChem (CID 71234785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).