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

C9H13N — CID 69483659

IUPAC5-methyl-2,3,3a,4-tetrahydro-1H-indole
SMILESCC1=CC=C2NCCC2C1
InChIInChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,8,10H,4-6H2,1H3
InChIKeyNQSMASJFDVJVRU-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.83
Rot. Bonds

About 5-methyl-2,3,3a,4-tetrahydro-1H-indole

5-methyl-2,3,3a,4-tetrahydro-1H-indole (PubChem CID 69483659) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4-tetrahydro-1H-indole.

Molecular Properties

Compound Name5-methyl-2,3,3a,4-tetrahydro-1H-indole
PubChem CID69483659
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-methyl-2,3,3a,4-tetrahydro-1H-indole
SMILESCC1=CC=C2NCCC2C1
InChIInChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,8,10H,4-6H2,1H3
InChIKeyNQSMASJFDVJVRU-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 5-methyl-2,3,3a,4-tetrahydro-1H-indole?
The IUPAC name of 5-methyl-2,3,3a,4-tetrahydro-1H-indole (CID 69483659) is 5-methyl-2,3,3a,4-tetrahydro-1H-indole.
What is the SMILES notation for 5-methyl-2,3,3a,4-tetrahydro-1H-indole?
The canonical SMILES for 5-methyl-2,3,3a,4-tetrahydro-1H-indole is CC1=CC=C2NCCC2C1.
What is the InChIKey of 5-methyl-2,3,3a,4-tetrahydro-1H-indole?
The InChIKey is NQSMASJFDVJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,8,10H,4-6H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4-tetrahydro-1H-indole?
5-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 5-methyl-2,3,3a,4-tetrahydro-1H-indole is sourced from PubChem (CID 69483659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).