2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole

C9H15N — CID 14663696

IUPAC2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole
SMILESCC1CC2CCCCC2=N1
InChIInChI=1S/C9H15N/c1-7-6-8-4-2-3-5-9(8)10-7/h7-8H,2-6H2,1H3
InChIKeyJQZXTYOCZLAWLH-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.41
Rot. Bonds

About 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole

2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole (PubChem CID 14663696) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole.

Molecular Properties

Compound Name2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole
PubChem CID14663696
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole
SMILESCC1CC2CCCCC2=N1
InChIInChI=1S/C9H15N/c1-7-6-8-4-2-3-5-9(8)10-7/h7-8H,2-6H2,1H3
InChIKeyJQZXTYOCZLAWLH-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole?
The IUPAC name of 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole (CID 14663696) is 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole.
What is the SMILES notation for 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole?
The canonical SMILES for 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole is CC1CC2CCCCC2=N1.
What is the InChIKey of 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole?
The InChIKey is JQZXTYOCZLAWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-6-8-4-2-3-5-9(8)10-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole?
2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole has a molecular weight of 137.23 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3a,4,5,6,7-hexahydro-2H-indole is sourced from PubChem (CID 14663696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).