2-methyl-4,5-dihydro-3H-indole

C9H11N — CID 59759818

IUPAC2-methyl-4,5-dihydro-3H-indole
SMILESCC1=NC2=C(CCC=C2)C1
InChIInChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h3,5H,2,4,6H2,1H3
InChIKeySSIDBTXNMXZOLE-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.46
Rot. Bonds

About 2-methyl-4,5-dihydro-3H-indole

2-methyl-4,5-dihydro-3H-indole (PubChem CID 59759818) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-3H-indole.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-3H-indole
PubChem CID59759818
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-methyl-4,5-dihydro-3H-indole
SMILESCC1=NC2=C(CCC=C2)C1
InChIInChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h3,5H,2,4,6H2,1H3
InChIKeySSIDBTXNMXZOLE-UHFFFAOYSA-N
XLogP2.46
TPSA12.36 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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-3H-indole?
The IUPAC name of 2-methyl-4,5-dihydro-3H-indole (CID 59759818) is 2-methyl-4,5-dihydro-3H-indole.
What is the SMILES notation for 2-methyl-4,5-dihydro-3H-indole?
The canonical SMILES for 2-methyl-4,5-dihydro-3H-indole is CC1=NC2=C(CCC=C2)C1.
What is the InChIKey of 2-methyl-4,5-dihydro-3H-indole?
The InChIKey is SSIDBTXNMXZOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 2-methyl-4,5-dihydro-3H-indole?
2-methyl-4,5-dihydro-3H-indole has a molecular weight of 133.19 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-3H-indole is sourced from PubChem (CID 59759818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).