1-methyl-5,6-dihydroindole

C9H11N — CID 54289923

IUPAC1-methyl-5,6-dihydroindole
SMILESCn1ccc2c1=CCCC=2
InChIInChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h4-7H,2-3H2,1H3
InChIKeyRWTRDNRLHTZXAI-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.38
Rot. Bonds

About 1-methyl-5,6-dihydroindole

1-methyl-5,6-dihydroindole (PubChem CID 54289923) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-methyl-5,6-dihydroindole.

Molecular Properties

Compound Name1-methyl-5,6-dihydroindole
PubChem CID54289923
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1-methyl-5,6-dihydroindole
SMILESCn1ccc2c1=CCCC=2
InChIInChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h4-7H,2-3H2,1H3
InChIKeyRWTRDNRLHTZXAI-UHFFFAOYSA-N
XLogP0.38
TPSA4.93 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 ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydroindole?
The IUPAC name of 1-methyl-5,6-dihydroindole (CID 54289923) is 1-methyl-5,6-dihydroindole.
What is the SMILES notation for 1-methyl-5,6-dihydroindole?
The canonical SMILES for 1-methyl-5,6-dihydroindole is Cn1ccc2c1=CCCC=2.
What is the InChIKey of 1-methyl-5,6-dihydroindole?
The InChIKey is RWTRDNRLHTZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h4-7H,2-3H2,1H3.
What are the key properties of 1-methyl-5,6-dihydroindole?
1-methyl-5,6-dihydroindole has a molecular weight of 133.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydroindole is sourced from PubChem (CID 54289923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).