1-methyl-7,7a-dihydroindole

C9H11N — CID 149248869

IUPAC1-methyl-7,7a-dihydroindole
SMILESCN1C=CC2=CC=CCC21
InChIInChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-4,6-7,9H,5H2,1H3
InChIKeyXNQKGMRZIOBKDN-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.70
Rot. Bonds

About 1-methyl-7,7a-dihydroindole

1-methyl-7,7a-dihydroindole (PubChem CID 149248869) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-methyl-7,7a-dihydroindole.

Molecular Properties

Compound Name1-methyl-7,7a-dihydroindole
PubChem CID149248869
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1-methyl-7,7a-dihydroindole
SMILESCN1C=CC2=CC=CCC21
InChIInChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-4,6-7,9H,5H2,1H3
InChIKeyXNQKGMRZIOBKDN-UHFFFAOYSA-N
XLogP1.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7,7a-dihydroindole?
The IUPAC name of 1-methyl-7,7a-dihydroindole (CID 149248869) is 1-methyl-7,7a-dihydroindole.
What is the SMILES notation for 1-methyl-7,7a-dihydroindole?
The canonical SMILES for 1-methyl-7,7a-dihydroindole is CN1C=CC2=CC=CCC21.
What is the InChIKey of 1-methyl-7,7a-dihydroindole?
The InChIKey is XNQKGMRZIOBKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-4,6-7,9H,5H2,1H3.
What are the key properties of 1-methyl-7,7a-dihydroindole?
1-methyl-7,7a-dihydroindole has a molecular weight of 133.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7,7a-dihydroindole is sourced from PubChem (CID 149248869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).