6-methyl-2,3,3a,4-tetrahydro-1H-indole

C9H13N — CID 70482612

IUPAC6-methyl-2,3,3a,4-tetrahydro-1H-indole
SMILESCC1=CCC2CCNC2=C1
InChIInChI=1S/C9H13N/c1-7-2-3-8-4-5-10-9(8)6-7/h2,6,8,10H,3-5H2,1H3
InChIKeyXYWJGIKKDYBECN-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.83
Rot. Bonds

About 6-methyl-2,3,3a,4-tetrahydro-1H-indole

6-methyl-2,3,3a,4-tetrahydro-1H-indole (PubChem CID 70482612) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 6-methyl-2,3,3a,4-tetrahydro-1H-indole.

Molecular Properties

Compound Name6-methyl-2,3,3a,4-tetrahydro-1H-indole
PubChem CID70482612
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name6-methyl-2,3,3a,4-tetrahydro-1H-indole
SMILESCC1=CCC2CCNC2=C1
InChIInChI=1S/C9H13N/c1-7-2-3-8-4-5-10-9(8)6-7/h2,6,8,10H,3-5H2,1H3
InChIKeyXYWJGIKKDYBECN-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,3a,4-tetrahydro-1H-indole?
The IUPAC name of 6-methyl-2,3,3a,4-tetrahydro-1H-indole (CID 70482612) is 6-methyl-2,3,3a,4-tetrahydro-1H-indole.
What is the SMILES notation for 6-methyl-2,3,3a,4-tetrahydro-1H-indole?
The canonical SMILES for 6-methyl-2,3,3a,4-tetrahydro-1H-indole is CC1=CCC2CCNC2=C1.
What is the InChIKey of 6-methyl-2,3,3a,4-tetrahydro-1H-indole?
The InChIKey is XYWJGIKKDYBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-2-3-8-4-5-10-9(8)6-7/h2,6,8,10H,3-5H2,1H3.
What are the key properties of 6-methyl-2,3,3a,4-tetrahydro-1H-indole?
6-methyl-2,3,3a,4-tetrahydro-1H-indole has a molecular weight of 135.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,3a,4-tetrahydro-1H-indole is sourced from PubChem (CID 70482612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).