2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole

C16H20N2 — CID 58566180

IUPAC2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole
SMILESCC(C)C1=Nc2cc3[nH]c(C(C)C)cc3cc2C1
InChIInChI=1S/C16H20N2/c1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13/h5-6,8-10,17H,7H2,1-4H3
InChIKeyREEBZDHSCXHDEQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.58
Rot. Bonds2

About 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole

2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole (PubChem CID 58566180) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole
PubChem CID58566180
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole
SMILESCC(C)C1=Nc2cc3[nH]c(C(C)C)cc3cc2C1
InChIInChI=1S/C16H20N2/c1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13/h5-6,8-10,17H,7H2,1-4H3
InChIKeyREEBZDHSCXHDEQ-UHFFFAOYSA-N
XLogP4.58
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole?
The IUPAC name of 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole (CID 58566180) is 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole.
What is the SMILES notation for 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole?
The canonical SMILES for 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole is CC(C)C1=Nc2cc3[nH]c(C(C)C)cc3cc2C1.
What is the InChIKey of 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole?
The InChIKey is REEBZDHSCXHDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13/h5-6,8-10,17H,7H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole?
2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole has a molecular weight of 240.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-1,5-dihydropyrrolo[3,2-f]indole is sourced from PubChem (CID 58566180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).