5,6-di(propan-2-yl)-3H-indole

C14H19N — CID 118098351

IUPAC5,6-di(propan-2-yl)-3H-indole
SMILESCC(C)c1cc2c(cc1C(C)C)N=CC2
InChIInChI=1S/C14H19N/c1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4/h6-10H,5H2,1-4H3
InChIKeyMZZORTKVFOVNPD-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.19
Rot. Bonds2

About 5,6-di(propan-2-yl)-3H-indole

5,6-di(propan-2-yl)-3H-indole (PubChem CID 118098351) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-3H-indole.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-3H-indole
PubChem CID118098351
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5,6-di(propan-2-yl)-3H-indole
SMILESCC(C)c1cc2c(cc1C(C)C)N=CC2
InChIInChI=1S/C14H19N/c1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4/h6-10H,5H2,1-4H3
InChIKeyMZZORTKVFOVNPD-UHFFFAOYSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-3H-indole?
The IUPAC name of 5,6-di(propan-2-yl)-3H-indole (CID 118098351) is 5,6-di(propan-2-yl)-3H-indole.
What is the SMILES notation for 5,6-di(propan-2-yl)-3H-indole?
The canonical SMILES for 5,6-di(propan-2-yl)-3H-indole is CC(C)c1cc2c(cc1C(C)C)N=CC2.
What is the InChIKey of 5,6-di(propan-2-yl)-3H-indole?
The InChIKey is MZZORTKVFOVNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4/h6-10H,5H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-3H-indole?
5,6-di(propan-2-yl)-3H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-3H-indole is sourced from PubChem (CID 118098351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).