2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole

C16H22N2 — CID 58315955

IUPAC2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole
SMILESCC(C)C1=NC2=C(C1)CC1=C(C2)N=C(C(C)C)C1
InChIInChI=1S/C16H22N2/c1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13/h9-10H,5-8H2,1-4H3
InChIKeyFLWWGCZYHRGQFZ-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.29
Rot. Bonds2

About 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole

2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole (PubChem CID 58315955) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole
PubChem CID58315955
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole
SMILESCC(C)C1=NC2=C(C1)CC1=C(C2)N=C(C(C)C)C1
InChIInChI=1S/C16H22N2/c1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13/h9-10H,5-8H2,1-4H3
InChIKeyFLWWGCZYHRGQFZ-UHFFFAOYSA-N
XLogP4.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole?
The IUPAC name of 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole (CID 58315955) is 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole.
What is the SMILES notation for 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole?
The canonical SMILES for 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole is CC(C)C1=NC2=C(C1)CC1=C(C2)N=C(C(C)C)C1.
What is the InChIKey of 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole?
The InChIKey is FLWWGCZYHRGQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole?
2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole has a molecular weight of 242.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole is sourced from PubChem (CID 58315955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).