(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole

C17H21N — CID 134909159

IUPAC(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole
SMILESC[C@@]12CCCC[C@@H]1Cc1[nH]c3ccccc3c1C2
InChIInChI=1S/C17H21N/c1-17-9-5-4-6-12(17)10-16-14(11-17)13-7-2-3-8-15(13)18-16/h2-3,7-8,12,18H,4-6,9-11H2,1H3/t12-,17+/m1/s1
InChIKeyQODXZGGCAWOAQA-PXAZEXFGSA-N
MW239.36 g/mol
LogP4.46
Rot. Bonds

About (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole

(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole (PubChem CID 134909159) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole.

Molecular Properties

Compound Name(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole
PubChem CID134909159
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole
SMILESC[C@@]12CCCC[C@@H]1Cc1[nH]c3ccccc3c1C2
InChIInChI=1S/C17H21N/c1-17-9-5-4-6-12(17)10-16-14(11-17)13-7-2-3-8-15(13)18-16/h2-3,7-8,12,18H,4-6,9-11H2,1H3/t12-,17+/m1/s1
InChIKeyQODXZGGCAWOAQA-PXAZEXFGSA-N
XLogP4.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole 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

1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 91059771
1-(1-methylcyclobutyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 173177273
(2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one
CID 46197708
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
3-[(2S,3R)-3-chloro-3-methyl-1,2,4,9-tetrahydrocarbazol-2-yl]propanenitrile
CID 139066884
(3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole
CID 132516896
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole
CID 10900760
N-(2,3,4,9-tetrahydro-1H-carbazol-2-ylmethylidene)hydroxylamine
CID 174537778
(1R,3R)-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 670862
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658

Frequently Asked Questions

What is the IUPAC name of (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole?
The IUPAC name of (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole (CID 134909159) is (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole.
What is the SMILES notation for (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole?
The canonical SMILES for (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole is C[C@@]12CCCC[C@@H]1Cc1[nH]c3ccccc3c1C2.
What is the InChIKey of (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole?
The InChIKey is QODXZGGCAWOAQA-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H21N/c1-17-9-5-4-6-12(17)10-16-14(11-17)13-7-2-3-8-15(13)18-16/h2-3,7-8,12,18H,4-6,9-11H2,1H3/t12-,17+/m1/s1.
What are the key properties of (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole?
(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole has a molecular weight of 239.36 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole is sourced from PubChem (CID 134909159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).