2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole

C12H18N2 — CID 89011470

IUPAC2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole
SMILESCC1CC2=C(CC3NC(C)CC3=C2)N1
InChIInChI=1S/C12H18N2/c1-7-3-9-5-10-4-8(2)14-12(10)6-11(9)13-7/h5,7-8,11,13-14H,3-4,6H2,1-2H3
InChIKeyDTOODNNNXOVZDU-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.70
Rot. Bonds

About 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole

2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole (PubChem CID 89011470) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole.

Molecular Properties

Compound Name2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole
PubChem CID89011470
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole
SMILESCC1CC2=C(CC3NC(C)CC3=C2)N1
InChIInChI=1S/C12H18N2/c1-7-3-9-5-10-4-8(2)14-12(10)6-11(9)13-7/h5,7-8,11,13-14H,3-4,6H2,1-2H3
InChIKeyDTOODNNNXOVZDU-UHFFFAOYSA-N
XLogP1.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole?
The IUPAC name of 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole (CID 89011470) is 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole.
What is the SMILES notation for 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole?
The canonical SMILES for 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole is CC1CC2=C(CC3NC(C)CC3=C2)N1.
What is the InChIKey of 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole?
The InChIKey is DTOODNNNXOVZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-7-3-9-5-10-4-8(2)14-12(10)6-11(9)13-7/h5,7-8,11,13-14H,3-4,6H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole?
2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole has a molecular weight of 190.29 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole is sourced from PubChem (CID 89011470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).