methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate

C14H18N2O2 — CID 82372244

IUPACmethyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
SMILESCOC(=O)N1CCC2Nc3ccc(C)cc3C2C1
InChIInChI=1S/C14H18N2O2/c1-9-3-4-12-10(7-9)11-8-16(14(17)18-2)6-5-13(11)15-12/h3-4,7,11,13,15H,5-6,8H2,1-2H3
InChIKeyNIUSONBTQREXMM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds

About methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate

methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate (PubChem CID 82372244) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
PubChem CID82372244
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
SMILESCOC(=O)N1CCC2Nc3ccc(C)cc3C2C1
InChIInChI=1S/C14H18N2O2/c1-9-3-4-12-10(7-9)11-8-16(14(17)18-2)6-5-13(11)15-12/h3-4,7,11,13,15H,5-6,8H2,1-2H3
InChIKeyNIUSONBTQREXMM-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate with MolForge

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Related Compounds

tert-butyl (5aR,10bS)-9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indole-2-carboxylate
CID 140575490
(9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indol-2-yl)-phenylmethanone
CID 76689500
N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
CID 11996798
7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84654717
(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 7007370
methyl (4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxylate
CID 933122
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 71128959
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
5-O-ethyl 1-O-methyl (4aS,5S,10bS)-9-methyl-4a,5,6,10b-tetrahydro-2H-benzo[h][1,6]naphthyridine-1,5-dicarboxylate
CID 101237710
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate?
The IUPAC name of methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate (CID 82372244) is methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate.
What is the SMILES notation for methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate?
The canonical SMILES for methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate is COC(=O)N1CCC2Nc3ccc(C)cc3C2C1.
What is the InChIKey of methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate?
The InChIKey is NIUSONBTQREXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-3-4-12-10(7-9)11-8-16(14(17)18-2)6-5-13(11)15-12/h3-4,7,11,13,15H,5-6,8H2,1-2H3.
What are the key properties of methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate?
methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate is sourced from PubChem (CID 82372244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).