methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate

C17H20N2O2 — CID 102085932

IUPACmethyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate
SMILESCOC(=O)n1c2c(c3ccccc31)C1C(CC2)CCN1C
InChIInChI=1S/C17H20N2O2/c1-18-10-9-11-7-8-14-15(16(11)18)12-5-3-4-6-13(12)19(14)17(20)21-2/h3-6,11,16H,7-10H2,1-2H3
InChIKeyVZRUWMIPPYTDFK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds

About methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate

methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate (PubChem CID 102085932) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate
PubChem CID102085932
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate
SMILESCOC(=O)n1c2c(c3ccccc31)C1C(CC2)CCN1C
InChIInChI=1S/C17H20N2O2/c1-18-10-9-11-7-8-14-15(16(11)18)12-5-3-4-6-13(12)19(14)17(20)21-2/h3-6,11,16H,7-10H2,1-2H3
InChIKeyVZRUWMIPPYTDFK-UHFFFAOYSA-N
XLogP3.19
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate with MolForge

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Related Compounds

methyl (3aS,10cR)-2-ethyl-1-prop-2-enyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate
CID 16724031
methyl (4S,6S)-4-(1,3-dioxolan-2-yl)-6-ethyl-7-methyl-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-17-carboxylate
CID 10644691
tert-butyl 1-(2-chloroethoxy)-2,3-dihydro-1H-cyclopenta[b]indole-4-carboxylate
CID 51356521
tert-butyl (1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) carbonate;1,2-dimethoxybenzene
CID 170747378
methyl 6,9-dioxo-8,10-dihydro-7H-phenanthridine-5-carboxylate
CID 10754571
ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
CID 72702213
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) dihydrogen phosphite
CID 170747084
ethyl (2S,3S,4S)-3-acetyl-2-cyclohexyl-4-phenyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
CID 72702339
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate?
The IUPAC name of methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate (CID 102085932) is methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate.
What is the SMILES notation for methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate?
The canonical SMILES for methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate is COC(=O)n1c2c(c3ccccc31)C1C(CC2)CCN1C.
What is the InChIKey of methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate?
The InChIKey is VZRUWMIPPYTDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-10-9-11-7-8-14-15(16(11)18)12-5-3-4-6-13(12)19(14)17(20)21-2/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate?
methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate is sourced from PubChem (CID 102085932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).