3-methyl-3a,7a-dihydro-1H-indole

C9H11N — CID 22951423

IUPAC3-methyl-3a,7a-dihydro-1H-indole
SMILESCC1=CNC2C=CC=CC12
InChIInChI=1S/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,8-10H,1H3
InChIKeyIIKLRAYREDTGKW-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.60
Rot. Bonds

About 3-methyl-3a,7a-dihydro-1H-indole

3-methyl-3a,7a-dihydro-1H-indole (PubChem CID 22951423) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-methyl-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name3-methyl-3a,7a-dihydro-1H-indole
PubChem CID22951423
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name3-methyl-3a,7a-dihydro-1H-indole
SMILESCC1=CNC2C=CC=CC12
InChIInChI=1S/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,8-10H,1H3
InChIKeyIIKLRAYREDTGKW-UHFFFAOYSA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3a,7a-dihydro-1H-indole?
The IUPAC name of 3-methyl-3a,7a-dihydro-1H-indole (CID 22951423) is 3-methyl-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 3-methyl-3a,7a-dihydro-1H-indole?
The canonical SMILES for 3-methyl-3a,7a-dihydro-1H-indole is CC1=CNC2C=CC=CC12.
What is the InChIKey of 3-methyl-3a,7a-dihydro-1H-indole?
The InChIKey is IIKLRAYREDTGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,8-10H,1H3.
What are the key properties of 3-methyl-3a,7a-dihydro-1H-indole?
3-methyl-3a,7a-dihydro-1H-indole has a molecular weight of 133.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 22951423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).