2,3-dimethyl-7aH-indole

C10H11N — CID 59099535

IUPAC2,3-dimethyl-7aH-indole
SMILESCC1=NC2C=CC=CC2=C1C
InChIInChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,10H,1-2H3
InChIKeyYOASDPJTNMGMRW-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.27
Rot. Bonds

About 2,3-dimethyl-7aH-indole

2,3-dimethyl-7aH-indole (PubChem CID 59099535) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2,3-dimethyl-7aH-indole.

Molecular Properties

Compound Name2,3-dimethyl-7aH-indole
PubChem CID59099535
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2,3-dimethyl-7aH-indole
SMILESCC1=NC2C=CC=CC2=C1C
InChIInChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,10H,1-2H3
InChIKeyYOASDPJTNMGMRW-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7aH-indole?
The IUPAC name of 2,3-dimethyl-7aH-indole (CID 59099535) is 2,3-dimethyl-7aH-indole.
What is the SMILES notation for 2,3-dimethyl-7aH-indole?
The canonical SMILES for 2,3-dimethyl-7aH-indole is CC1=NC2C=CC=CC2=C1C.
What is the InChIKey of 2,3-dimethyl-7aH-indole?
The InChIKey is YOASDPJTNMGMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,10H,1-2H3.
What are the key properties of 2,3-dimethyl-7aH-indole?
2,3-dimethyl-7aH-indole has a molecular weight of 145.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7aH-indole is sourced from PubChem (CID 59099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).