2,3,3,7-tetramethyl-7,7a-dihydroindole

C12H17N — CID 134605128

IUPAC2,3,3,7-tetramethyl-7,7a-dihydroindole
SMILESCC1=NC2C(=CC=CC2C)C1(C)C
InChIInChI=1S/C12H17N/c1-8-6-5-7-10-11(8)13-9(2)12(10,3)4/h5-8,11H,1-4H3
InChIKeySYQWMWPCYUPLDG-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.99
Rot. Bonds

About 2,3,3,7-tetramethyl-7,7a-dihydroindole

2,3,3,7-tetramethyl-7,7a-dihydroindole (PubChem CID 134605128) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2,3,3,7-tetramethyl-7,7a-dihydroindole.

Molecular Properties

Compound Name2,3,3,7-tetramethyl-7,7a-dihydroindole
PubChem CID134605128
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2,3,3,7-tetramethyl-7,7a-dihydroindole
SMILESCC1=NC2C(=CC=CC2C)C1(C)C
InChIInChI=1S/C12H17N/c1-8-6-5-7-10-11(8)13-9(2)12(10,3)4/h5-8,11H,1-4H3
InChIKeySYQWMWPCYUPLDG-UHFFFAOYSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,7-tetramethyl-7,7a-dihydroindole?
The IUPAC name of 2,3,3,7-tetramethyl-7,7a-dihydroindole (CID 134605128) is 2,3,3,7-tetramethyl-7,7a-dihydroindole.
What is the SMILES notation for 2,3,3,7-tetramethyl-7,7a-dihydroindole?
The canonical SMILES for 2,3,3,7-tetramethyl-7,7a-dihydroindole is CC1=NC2C(=CC=CC2C)C1(C)C.
What is the InChIKey of 2,3,3,7-tetramethyl-7,7a-dihydroindole?
The InChIKey is SYQWMWPCYUPLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-6-5-7-10-11(8)13-9(2)12(10,3)4/h5-8,11H,1-4H3.
What are the key properties of 2,3,3,7-tetramethyl-7,7a-dihydroindole?
2,3,3,7-tetramethyl-7,7a-dihydroindole has a molecular weight of 175.27 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,7-tetramethyl-7,7a-dihydroindole is sourced from PubChem (CID 134605128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).