1,3-dimethyl-2,3-dihydroindole

C10H13N — CID 13011531

IUPAC1,3-dimethyl-2,3-dihydroindole
SMILESCC1CN(C)c2ccccc21
InChIInChI=1S/C10H13N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3
InChIKeyMNNJPINCYKGTNO-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.24
Rot. Bonds

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

1,3-dimethyl-2,3-dihydroindole (PubChem CID 13011531) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,3-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name1,3-dimethyl-2,3-dihydroindole
PubChem CID13011531
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1,3-dimethyl-2,3-dihydroindole
SMILESCC1CN(C)c2ccccc21
InChIInChI=1S/C10H13N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3
InChIKeyMNNJPINCYKGTNO-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3-dihydroindole?
The IUPAC name of 1,3-dimethyl-2,3-dihydroindole (CID 13011531) is 1,3-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 1,3-dimethyl-2,3-dihydroindole?
The canonical SMILES for 1,3-dimethyl-2,3-dihydroindole is CC1CN(C)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-2,3-dihydroindole?
The InChIKey is MNNJPINCYKGTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,3-dihydroindole?
1,3-dimethyl-2,3-dihydroindole has a molecular weight of 147.22 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 13011531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).