1-methylindole

C9H9N — CID 11781

IUPAC1-methylindole
SMILESCn1ccc2ccccc21
InChIInChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKeyBLRHMMGNCXNXJL-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.18
Rot. Bonds

About 1-methylindole

1-methylindole (PubChem CID 11781) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-methylindole.

Molecular Properties

Compound Name1-methylindole
PubChem CID11781
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name1-methylindole
SMILESCn1ccc2ccccc21
InChIInChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKeyBLRHMMGNCXNXJL-UHFFFAOYSA-N
XLogP2.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylindole?
The IUPAC name of 1-methylindole (CID 11781) is 1-methylindole.
What is the SMILES notation for 1-methylindole?
The canonical SMILES for 1-methylindole is Cn1ccc2ccccc21.
What is the InChIKey of 1-methylindole?
The InChIKey is BLRHMMGNCXNXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3.
What are the key properties of 1-methylindole?
1-methylindole has a molecular weight of 131.18 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole is sourced from PubChem (CID 11781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).