5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole

C10H15N — CID 59950558

IUPAC5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
SMILESCC1Cc2c[nH]cc2CC1C
InChIInChI=1S/C10H15N/c1-7-3-9-5-11-6-10(9)4-8(7)2/h5-8,11H,3-4H2,1-2H3
InChIKeyDOVKCLGJADYLGR-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.39
Rot. Bonds

About 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole

5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole (PubChem CID 59950558) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole.

Molecular Properties

Compound Name5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
PubChem CID59950558
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
SMILESCC1Cc2c[nH]cc2CC1C
InChIInChI=1S/C10H15N/c1-7-3-9-5-11-6-10(9)4-8(7)2/h5-8,11H,3-4H2,1-2H3
InChIKeyDOVKCLGJADYLGR-UHFFFAOYSA-N
XLogP2.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole?
The IUPAC name of 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole (CID 59950558) is 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole.
What is the SMILES notation for 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole?
The canonical SMILES for 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole is CC1Cc2c[nH]cc2CC1C.
What is the InChIKey of 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole?
The InChIKey is DOVKCLGJADYLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-3-9-5-11-6-10(9)4-8(7)2/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole?
5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole has a molecular weight of 149.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,5,6,7-tetrahydro-2H-isoindole is sourced from PubChem (CID 59950558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).