2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole

C11H17N — CID 58032103

IUPAC2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole
SMILESCC(C)C1=NC2=C(CCCC2)C1
InChIInChI=1S/C11H17N/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h8H,3-7H2,1-2H3
InChIKeyZVWWPHDFXMHJOQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.32
Rot. Bonds1

About 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole

2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole (PubChem CID 58032103) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole
PubChem CID58032103
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole
SMILESCC(C)C1=NC2=C(CCCC2)C1
InChIInChI=1S/C11H17N/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h8H,3-7H2,1-2H3
InChIKeyZVWWPHDFXMHJOQ-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole (CID 58032103) is 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole is CC(C)C1=NC2=C(CCCC2)C1.
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole?
The InChIKey is ZVWWPHDFXMHJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h8H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole?
2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole has a molecular weight of 163.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole is sourced from PubChem (CID 58032103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).