3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C23H28N4 — CID 599113

IUPAC3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCN1CCC2(C34CCN(C)C3N(C)c3ccccc34)c3ccccc3NC12
InChIInChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3
InChIKeyGSQUXSFTXJRLQJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.06
Rot. Bonds1

About 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 599113) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID599113
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Name3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCN1CCC2(C34CCN(C)C3N(C)c3ccccc34)c3ccccc3NC12
InChIInChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3
InChIKeyGSQUXSFTXJRLQJ-UHFFFAOYSA-N
XLogP3.06
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole with MolForge

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Related Compounds

(-)-Chimonanthine
CID 599086
Folicanthine
CID 604246
demethyldebromoflustramine B
CID 11173982
(-)-Debromoflustramine B
CID 10403152
Hodgkinsine
CID 442105
Chimonanthine
CID 3083909
3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H):7''',3''''a(1''''H)-Quinquepyrrolo(2,3-b)indole, 2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8'a,8''a,8'''a,8''''a-eicosahydro-1,1',1'',1''',1''''-pentamethyl-, stereoisomer
CID 171175
(+/-)-debromoflustramine B
CID 496015
(+)-Chimonanthine
CID 442058
Idiospermuline
CID 10437451
(3aR,8bR)-8b-[(3aS,8bS)-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 11169934
Hodgkinsine B
CID 12041884

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 599113) is 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is CN1CCC2(C34CCN(C)C3N(C)c3ccccc34)c3ccccc3NC12.
What is the InChIKey of 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is GSQUXSFTXJRLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3.
What are the key properties of 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 360.50 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 599113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).