(1R)-1,2-dimethyl-1,3-dihydroisoindole

C10H13N — CID 640575

IUPAC(1R)-1,2-dimethyl-1,3-dihydroisoindole
SMILESC[C@@H]1c2ccccc2CN1C
InChIInChI=1S/C10H13N/c1-8-10-6-4-3-5-9(10)7-11(8)2/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyRXVIXMALGSJUJF-MRVPVSSYSA-N
MW147.22 g/mol
LogP2.19
Rot. Bonds

About (1R)-1,2-dimethyl-1,3-dihydroisoindole

(1R)-1,2-dimethyl-1,3-dihydroisoindole (PubChem CID 640575) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (1R)-1,2-dimethyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name(1R)-1,2-dimethyl-1,3-dihydroisoindole
PubChem CID640575
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(1R)-1,2-dimethyl-1,3-dihydroisoindole
SMILESC[C@@H]1c2ccccc2CN1C
InChIInChI=1S/C10H13N/c1-8-10-6-4-3-5-9(10)7-11(8)2/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyRXVIXMALGSJUJF-MRVPVSSYSA-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 (1R)-1,2-dimethyl-1,3-dihydroisoindole?
The IUPAC name of (1R)-1,2-dimethyl-1,3-dihydroisoindole (CID 640575) is (1R)-1,2-dimethyl-1,3-dihydroisoindole.
What is the SMILES notation for (1R)-1,2-dimethyl-1,3-dihydroisoindole?
The canonical SMILES for (1R)-1,2-dimethyl-1,3-dihydroisoindole is C[C@@H]1c2ccccc2CN1C.
What is the InChIKey of (1R)-1,2-dimethyl-1,3-dihydroisoindole?
The InChIKey is RXVIXMALGSJUJF-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (1R)-1,2-dimethyl-1,3-dihydroisoindole?
(1R)-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 (1R)-1,2-dimethyl-1,3-dihydroisoindole is sourced from PubChem (CID 640575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).