5-methyl-4,5,6,7-tetrahydro-3H-indole

C9H13N — CID 70571864

IUPAC5-methyl-4,5,6,7-tetrahydro-3H-indole
SMILESCC1CCC2=C(CC=N2)C1
InChIInChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h5,7H,2-4,6H2,1H3
InChIKeyPJLZHYZINSSTLT-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.54
Rot. Bonds

About 5-methyl-4,5,6,7-tetrahydro-3H-indole

5-methyl-4,5,6,7-tetrahydro-3H-indole (PubChem CID 70571864) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-methyl-4,5,6,7-tetrahydro-3H-indole.

Molecular Properties

Compound Name5-methyl-4,5,6,7-tetrahydro-3H-indole
PubChem CID70571864
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-methyl-4,5,6,7-tetrahydro-3H-indole
SMILESCC1CCC2=C(CC=N2)C1
InChIInChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h5,7H,2-4,6H2,1H3
InChIKeyPJLZHYZINSSTLT-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5,6,7-tetrahydro-3H-indole?
The IUPAC name of 5-methyl-4,5,6,7-tetrahydro-3H-indole (CID 70571864) is 5-methyl-4,5,6,7-tetrahydro-3H-indole.
What is the SMILES notation for 5-methyl-4,5,6,7-tetrahydro-3H-indole?
The canonical SMILES for 5-methyl-4,5,6,7-tetrahydro-3H-indole is CC1CCC2=C(CC=N2)C1.
What is the InChIKey of 5-methyl-4,5,6,7-tetrahydro-3H-indole?
The InChIKey is PJLZHYZINSSTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-methyl-4,5,6,7-tetrahydro-3H-indole?
5-methyl-4,5,6,7-tetrahydro-3H-indole has a molecular weight of 135.21 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5,6,7-tetrahydro-3H-indole is sourced from PubChem (CID 70571864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).