1,2-dimethyl-1,3-dihydroisoindole

C10H13N — CID 14708634

IUPAC1,2-dimethyl-1,3-dihydroisoindole
SMILESCC1c2ccccc2CN1C
InChIInChI=1S/C10H13N/c1-8-10-6-4-3-5-9(10)7-11(8)2/h3-6,8H,7H2,1-2H3
InChIKeyRXVIXMALGSJUJF-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.19
Rot. Bonds

About 1,2-dimethyl-1,3-dihydroisoindole

1,2-dimethyl-1,3-dihydroisoindole (PubChem CID 14708634) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,2-dimethyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name1,2-dimethyl-1,3-dihydroisoindole
PubChem CID14708634
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1,2-dimethyl-1,3-dihydroisoindole
SMILESCC1c2ccccc2CN1C
InChIInChI=1S/C10H13N/c1-8-10-6-4-3-5-9(10)7-11(8)2/h3-6,8H,7H2,1-2H3
InChIKeyRXVIXMALGSJUJF-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1,3-dihydroisoindole?
The IUPAC name of 1,2-dimethyl-1,3-dihydroisoindole (CID 14708634) is 1,2-dimethyl-1,3-dihydroisoindole.
What is the SMILES notation for 1,2-dimethyl-1,3-dihydroisoindole?
The canonical SMILES for 1,2-dimethyl-1,3-dihydroisoindole is CC1c2ccccc2CN1C.
What is the InChIKey of 1,2-dimethyl-1,3-dihydroisoindole?
The InChIKey is RXVIXMALGSJUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-10-6-4-3-5-9(10)7-11(8)2/h3-6,8H,7H2,1-2H3.
What are the key properties of 1,2-dimethyl-1,3-dihydroisoindole?
1,2-dimethyl-1,3-dihydroisoindole has a molecular weight of 147.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1,3-dihydroisoindole is sourced from PubChem (CID 14708634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).