1,6-dimethyl-2,3-dihydroindole

C10H13N — CID 59833304

IUPAC1,6-dimethyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)N(C)CC2
InChIInChI=1S/C10H13N/c1-8-3-4-9-5-6-11(2)10(9)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyQXSSYMHCIFVEMD-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.99
Rot. Bonds

About 1,6-dimethyl-2,3-dihydroindole

1,6-dimethyl-2,3-dihydroindole (PubChem CID 59833304) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,6-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name1,6-dimethyl-2,3-dihydroindole
PubChem CID59833304
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1,6-dimethyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)N(C)CC2
InChIInChI=1S/C10H13N/c1-8-3-4-9-5-6-11(2)10(9)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyQXSSYMHCIFVEMD-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3-dihydroindole?
The IUPAC name of 1,6-dimethyl-2,3-dihydroindole (CID 59833304) is 1,6-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 1,6-dimethyl-2,3-dihydroindole?
The canonical SMILES for 1,6-dimethyl-2,3-dihydroindole is Cc1ccc2c(c1)N(C)CC2.
What is the InChIKey of 1,6-dimethyl-2,3-dihydroindole?
The InChIKey is QXSSYMHCIFVEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-3-4-9-5-6-11(2)10(9)7-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1,6-dimethyl-2,3-dihydroindole?
1,6-dimethyl-2,3-dihydroindole has a molecular weight of 147.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 59833304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).