(8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane

C14H24N2 — CID 91464467

IUPAC(8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane
SMILESCC.CC.c1ccc2c(c1)NC1CNC[C@@H]21
InChIInChI=1S/C10H12N2.2C2H6/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;2*1-2/h1-4,8,10-12H,5-6H2;2*1-2H3/t8-,10?;;/m0../s1
InChIKeyRWBYSMMGUAYWSK-HKQLAKMDSA-N
MW220.36 g/mol
LogP3.22
Rot. Bonds

About (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane

(8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane (PubChem CID 91464467) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane.

Molecular Properties

Compound Name(8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane
PubChem CID91464467
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane
SMILESCC.CC.c1ccc2c(c1)NC1CNC[C@@H]21
InChIInChI=1S/C10H12N2.2C2H6/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;2*1-2/h1-4,8,10-12H,5-6H2;2*1-2H3/t8-,10?;;/m0../s1
InChIKeyRWBYSMMGUAYWSK-HKQLAKMDSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR,9bR)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 11805243
9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline
CID 18071403
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole;ethyl formate
CID 158599107
(10aS)-7-methyl-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
CID 129109613
(1R,2S,11S,12S)-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaene
CID 102272217
1,3,4,4a,5,9b-hexahydrothiopyrano[4,3-b]indole
CID 58171102
1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride
CID 167311658
(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 129413587
(1R,2R,11S,12S)-11,20-dideuterio-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaene
CID 11821505
(3aS,9bS)-6-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one
CID 11694998
(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 71128959

Frequently Asked Questions

What is the IUPAC name of (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane?
The IUPAC name of (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane (CID 91464467) is (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane.
What is the SMILES notation for (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane?
The canonical SMILES for (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane is CC.CC.c1ccc2c(c1)NC1CNC[C@@H]21.
What is the InChIKey of (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane?
The InChIKey is RWBYSMMGUAYWSK-HKQLAKMDSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;2*1-2/h1-4,8,10-12H,5-6H2;2*1-2H3/t8-,10?;;/m0../s1.
What are the key properties of (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane?
(8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane has a molecular weight of 220.36 g/mol, XLogP of 3.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane is sourced from PubChem (CID 91464467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).