3,4,7-trimethyl-6,7-dihydro-1H-isoindole

C11H15N — CID 146259336

IUPAC3,4,7-trimethyl-6,7-dihydro-1H-isoindole
SMILESCC1=CCC(C)C2=C1C(C)=NC2
InChIInChI=1S/C11H15N/c1-7-4-5-8(2)11-9(3)12-6-10(7)11/h5,7H,4,6H2,1-3H3
InChIKeyTXTOWGHTNVQGHM-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.74
Rot. Bonds

About 3,4,7-trimethyl-6,7-dihydro-1H-isoindole

3,4,7-trimethyl-6,7-dihydro-1H-isoindole (PubChem CID 146259336) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3,4,7-trimethyl-6,7-dihydro-1H-isoindole.

Molecular Properties

Compound Name3,4,7-trimethyl-6,7-dihydro-1H-isoindole
PubChem CID146259336
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3,4,7-trimethyl-6,7-dihydro-1H-isoindole
SMILESCC1=CCC(C)C2=C1C(C)=NC2
InChIInChI=1S/C11H15N/c1-7-4-5-8(2)11-9(3)12-6-10(7)11/h5,7H,4,6H2,1-3H3
InChIKeyTXTOWGHTNVQGHM-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-6,7-dihydro-1H-isoindole?
The IUPAC name of 3,4,7-trimethyl-6,7-dihydro-1H-isoindole (CID 146259336) is 3,4,7-trimethyl-6,7-dihydro-1H-isoindole.
What is the SMILES notation for 3,4,7-trimethyl-6,7-dihydro-1H-isoindole?
The canonical SMILES for 3,4,7-trimethyl-6,7-dihydro-1H-isoindole is CC1=CCC(C)C2=C1C(C)=NC2.
What is the InChIKey of 3,4,7-trimethyl-6,7-dihydro-1H-isoindole?
The InChIKey is TXTOWGHTNVQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-7-4-5-8(2)11-9(3)12-6-10(7)11/h5,7H,4,6H2,1-3H3.
What are the key properties of 3,4,7-trimethyl-6,7-dihydro-1H-isoindole?
3,4,7-trimethyl-6,7-dihydro-1H-isoindole has a molecular weight of 161.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-6,7-dihydro-1H-isoindole is sourced from PubChem (CID 146259336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).