4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole

C12H22N2 — CID 172555806

IUPAC4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole
SMILESCCC1CC2NCCC2C2CCNC12
InChIInChI=1S/C12H22N2/c1-2-8-7-11-9(3-5-13-11)10-4-6-14-12(8)10/h8-14H,2-7H2,1H3
InChIKeyLYSXVZMFVBUOLG-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.37
Rot. Bonds1

About 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole

4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole (PubChem CID 172555806) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole.

Molecular Properties

Compound Name4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole
PubChem CID172555806
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole
SMILESCCC1CC2NCCC2C2CCNC12
InChIInChI=1S/C12H22N2/c1-2-8-7-11-9(3-5-13-11)10-4-6-14-12(8)10/h8-14H,2-7H2,1H3
InChIKeyLYSXVZMFVBUOLG-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-2,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine
CID 170905499
2,5-Di(propan-2-yl)-7-azabicyclo[2.2.1]heptane
CID 129995808
1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-Icosahydroindolo[3,2-b]carbazole
CID 45075633
13-Azatetracyclo[8.2.1.02,9.04,7]tridecane
CID 54262789
6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 54407804
1,4-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 56628143
1,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 56630915
2-Propan-2-yl-7-azabicyclo[2.2.1]heptane
CID 59427260
4-Methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane
CID 59502954
N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine
CID 59848272
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 67335600
2-Pentan-3-yl-7-azabicyclo[2.2.1]heptane
CID 68166032

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole?
The IUPAC name of 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole (CID 172555806) is 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole.
What is the SMILES notation for 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole?
The canonical SMILES for 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole is CCC1CC2NCCC2C2CCNC12.
What is the InChIKey of 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole?
The InChIKey is LYSXVZMFVBUOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-8-7-11-9(3-5-13-11)10-4-6-14-12(8)10/h8-14H,2-7H2,1H3.
What are the key properties of 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole?
4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole has a molecular weight of 194.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydropyrrolo[3,2-e]indole is sourced from PubChem (CID 172555806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).