9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole

C13H21N — CID 14003985

IUPAC9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole
SMILESCN1C2CCCCC2=C2CCCCC21
InChIInChI=1S/C13H21N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h12-13H,2-9H2,1H3
InChIKeyYNNSMGGPAPOCRC-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.11
Rot. Bonds

About 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole

9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole (PubChem CID 14003985) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole.

Molecular Properties

Compound Name9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole
PubChem CID14003985
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole
SMILESCN1C2CCCCC2=C2CCCCC21
InChIInChI=1S/C13H21N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h12-13H,2-9H2,1H3
InChIKeyYNNSMGGPAPOCRC-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole with MolForge

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

Launch Full Analysis

Related Compounds

(3aS,9aR)-5-methyl-1,2,3,3a,4,6,7,8,9,9a-decahydropyrrolo[1,2-a]quinoline
CID 102221641
(8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole
CID 14003979
(8aS,9aR)-9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole
CID 14003986
(8aS,9aS)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole
CID 21796425
(8aS,9aS)-9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole
CID 21796427
1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine
CID 23396928
2,5-Dimethyl-1-(4-methylidenecyclohexyl)-2,5-dihydropyrrole
CID 58902695
1-Tert-butyl-3-methyl-2,4,5,6,7,7a-hexahydroindole
CID 59689203
5,6,7-Trimethyl-1,2,3,5,8,8a-hexahydroindolizine
CID 89670020
6,7,8-Trimethyl-1,2,3,5,6,8a-hexahydroindolizine
CID 89670110
7,8-Dimethyl-1,2,3,5,6,8a-hexahydroindolizine
CID 89752517
6,7-Dimethyl-1,2,3,5,8,8a-hexahydroindolizine
CID 89752519

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole?
The IUPAC name of 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole (CID 14003985) is 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole.
What is the SMILES notation for 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole?
The canonical SMILES for 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole is CN1C2CCCCC2=C2CCCCC21.
What is the InChIKey of 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole?
The InChIKey is YNNSMGGPAPOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h12-13H,2-9H2,1H3.
What are the key properties of 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole?
9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole has a molecular weight of 191.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,5,6,7,8,8a,9a-decahydrocarbazole is sourced from PubChem (CID 14003985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).