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

C9H13N — CID 160986943

IUPAC3-methyl-4,5,6,7-tetrahydro-3aH-indole
SMILESCC1=CN=C2CCCCC12
InChIInChI=1S/C9H13N/c1-7-6-10-9-5-3-2-4-8(7)9/h6,8H,2-5H2,1H3
InChIKeyTUCGMDXMZRSLBW-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.54
Rot. Bonds

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

3-methyl-4,5,6,7-tetrahydro-3aH-indole (PubChem CID 160986943) 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-3aH-indole.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydro-3aH-indole
PubChem CID160986943
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-methyl-4,5,6,7-tetrahydro-3aH-indole
SMILESCC1=CN=C2CCCCC12
InChIInChI=1S/C9H13N/c1-7-6-10-9-5-3-2-4-8(7)9/h6,8H,2-5H2,1H3
InChIKeyTUCGMDXMZRSLBW-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 3-methyl-4,5,6,7-tetrahydro-3aH-indole?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydro-3aH-indole (CID 160986943) is 3-methyl-4,5,6,7-tetrahydro-3aH-indole.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydro-3aH-indole?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydro-3aH-indole is CC1=CN=C2CCCCC12.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydro-3aH-indole?
The InChIKey is TUCGMDXMZRSLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-6-10-9-5-3-2-4-8(7)9/h6,8H,2-5H2,1H3.
What are the key properties of 3-methyl-4,5,6,7-tetrahydro-3aH-indole?
3-methyl-4,5,6,7-tetrahydro-3aH-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 3-methyl-4,5,6,7-tetrahydro-3aH-indole is sourced from PubChem (CID 160986943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).