(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole

C16H20N2 — CID 10900760

IUPAC(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole
SMILESC[C@@]12CCCN[C@@H]1c1c([nH]c3ccccc13)CC2
InChIInChI=1S/C16H20N2/c1-16-8-4-10-17-15(16)14-11-5-2-3-6-12(11)18-13(14)7-9-16/h2-3,5-6,15,17-18H,4,7-10H2,1H3/t15-,16+/m1/s1
InChIKeyWOVYXGOVGCHUQW-CVEARBPZSA-N
MW240.35 g/mol
LogP3.54
Rot. Bonds

About (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole

(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole (PubChem CID 10900760) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole.

Molecular Properties

Compound Name(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole
PubChem CID10900760
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole
SMILESC[C@@]12CCCN[C@@H]1c1c([nH]c3ccccc13)CC2
InChIInChI=1S/C16H20N2/c1-16-8-4-10-17-15(16)14-11-5-2-3-6-12(11)18-13(14)7-9-16/h2-3,5-6,15,17-18H,4,7-10H2,1H3/t15-,16+/m1/s1
InChIKeyWOVYXGOVGCHUQW-CVEARBPZSA-N
XLogP3.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole with MolForge

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Related Compounds

2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol
CID 132578302
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 9350450
(4aR,11cR)-4a-ethyl-2,3,4,5,7,11c-hexahydro-1H-pyrido[3,2-c]carbazol-6-one
CID 134841926
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177006
1-(1-methylcyclobutyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 173177273
N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333308
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-1-carboxylic acid
CID 12627214
1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 91059771
(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole
CID 134909159
3-(aziridin-2-yl)-2-methyl-1H-indole
CID 82468105
3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole
CID 55263618
1-[(4aS,11cS)-4a-ethyl-3,4,5,6,7,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-iodoethanone
CID 11464342

Frequently Asked Questions

What is the IUPAC name of (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole?
The IUPAC name of (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole (CID 10900760) is (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole.
What is the SMILES notation for (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole?
The canonical SMILES for (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole is C[C@@]12CCCN[C@@H]1c1c([nH]c3ccccc13)CC2.
What is the InChIKey of (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole?
The InChIKey is WOVYXGOVGCHUQW-CVEARBPZSA-N. The full InChI is InChI=1S/C16H20N2/c1-16-8-4-10-17-15(16)14-11-5-2-3-6-12(11)18-13(14)7-9-16/h2-3,5-6,15,17-18H,4,7-10H2,1H3/t15-,16+/m1/s1.
What are the key properties of (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole?
(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole has a molecular weight of 240.35 g/mol, XLogP of 3.54, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole is sourced from PubChem (CID 10900760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).