3-methyl-4,5,6,7-tetrahydro-1H-indole

C9H13N — CID 15778451

IUPAC3-methyl-4,5,6,7-tetrahydro-1H-indole
SMILESCc1c[nH]c2c1CCCC2
InChIInChI=1S/C9H13N/c1-7-6-10-9-5-3-2-4-8(7)9/h6,10H,2-5H2,1H3
InChIKeyKWKQZBFWQRZNEE-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.20
Rot. Bonds

About 3-methyl-4,5,6,7-tetrahydro-1H-indole

3-methyl-4,5,6,7-tetrahydro-1H-indole (PubChem CID 15778451) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydro-1H-indole
PubChem CID15778451
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-methyl-4,5,6,7-tetrahydro-1H-indole
SMILESCc1c[nH]c2c1CCCC2
InChIInChI=1S/C9H13N/c1-7-6-10-9-5-3-2-4-8(7)9/h6,10H,2-5H2,1H3
InChIKeyKWKQZBFWQRZNEE-UHFFFAOYSA-N
XLogP2.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydro-1H-indole (CID 15778451) is 3-methyl-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydro-1H-indole is Cc1c[nH]c2c1CCCC2.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is KWKQZBFWQRZNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-6-10-9-5-3-2-4-8(7)9/h6,10H,2-5H2,1H3.
What are the key properties of 3-methyl-4,5,6,7-tetrahydro-1H-indole?
3-methyl-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 135.21 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 15778451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).