5-methyl-2,3-dihydro-1H-indole

C9H11N — CID 14023679

IUPAC5-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)CCN2
InChIInChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKeyJFUAVVHABJWSFX-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About 5-methyl-2,3-dihydro-1H-indole

5-methyl-2,3-dihydro-1H-indole (PubChem CID 14023679) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-indole
PubChem CID14023679
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name5-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)CCN2
InChIInChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKeyJFUAVVHABJWSFX-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-methyl-2,3-dihydro-1H-indole (CID 14023679) is 5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-indole is Cc1ccc2c(c1)CCN2.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-indole?
The InChIKey is JFUAVVHABJWSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1H-indole?
5-methyl-2,3-dihydro-1H-indole has a molecular weight of 133.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 14023679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).