4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane

C12H19N — CID 153397787

IUPAC4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane
SMILESCC.Cc1ccc2c(c1C)CNC2
InChIInChI=1S/C10H13N.C2H6/c1-7-3-4-9-5-11-6-10(9)8(7)2;1-2/h3-4,11H,5-6H2,1-2H3;1-2H3
InChIKeyKMYHZEKNTDLYII-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.93
Rot. Bonds

About 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane

4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane (PubChem CID 153397787) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane
PubChem CID153397787
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane
SMILESCC.Cc1ccc2c(c1C)CNC2
InChIInChI=1S/C10H13N.C2H6/c1-7-3-4-9-5-11-6-10(9)8(7)2;1-2/h3-4,11H,5-6H2,1-2H3;1-2H3
InChIKeyKMYHZEKNTDLYII-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane (CID 153397787) is 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane is CC.Cc1ccc2c(c1C)CNC2.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane?
The InChIKey is KMYHZEKNTDLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-7-3-4-9-5-11-6-10(9)8(7)2;1-2/h3-4,11H,5-6H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane?
4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane has a molecular weight of 177.29 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane is sourced from PubChem (CID 153397787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).