(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole

C13H17N — CID 7007370

IUPAC(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SMILESCc1ccc2c(c1)[C@H]1CCCC[C@H]1N2
InChIInChI=1S/C13H17N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,10,12,14H,2-5H2,1H3/t10-,12-/m1/s1
InChIKeyGVYJONDNSWCNHQ-ZYHUDNBSSA-N
MW187.29 g/mol
LogP3.45
Rot. Bonds

About (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole

(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole (PubChem CID 7007370) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole.

Molecular Properties

Compound Name(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
PubChem CID7007370
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SMILESCc1ccc2c(c1)[C@H]1CCCC[C@H]1N2
InChIInChI=1S/C13H17N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,10,12,14H,2-5H2,1H3/t10-,12-/m1/s1
InChIKeyGVYJONDNSWCNHQ-ZYHUDNBSSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84654717
(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 71128959
(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine
CID 130909450
7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84700609
5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
CID 15896268
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
(9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indol-2-yl)-phenylmethanone
CID 76689500
[(5aR,10bR)-9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indol-2-yl]-phenylmethanone
CID 58159615
tert-butyl (5aR,10bS)-9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indole-2-carboxylate
CID 140575490
11-methyl-1,2,3,4,6,7,7a,8,12b,12c-decahydroindolo[3,2-a]quinolizine
CID 67433990
methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 82372244
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758

Frequently Asked Questions

What is the IUPAC name of (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The IUPAC name of (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole (CID 7007370) is (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole.
What is the SMILES notation for (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The canonical SMILES for (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole is Cc1ccc2c(c1)[C@H]1CCCC[C@H]1N2.
What is the InChIKey of (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The InChIKey is GVYJONDNSWCNHQ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H17N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,10,12,14H,2-5H2,1H3/t10-,12-/m1/s1.
What are the key properties of (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole has a molecular weight of 187.29 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole is sourced from PubChem (CID 7007370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).