2-methyl-4,5,6,7-tetrahydroisoindole

C9H13N — CID 58435762

IUPAC2-methyl-4,5,6,7-tetrahydroisoindole
SMILESCn1cc2c(c1)CCCC2
InChIInChI=1S/C9H13N/c1-10-6-8-4-2-3-5-9(8)7-10/h6-7H,2-5H2,1H3
InChIKeyOVWNDBSVAOBWFL-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.90
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydroisoindole

2-methyl-4,5,6,7-tetrahydroisoindole (PubChem CID 58435762) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydroisoindole.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroisoindole
PubChem CID58435762
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-methyl-4,5,6,7-tetrahydroisoindole
SMILESCn1cc2c(c1)CCCC2
InChIInChI=1S/C9H13N/c1-10-6-8-4-2-3-5-9(8)7-10/h6-7H,2-5H2,1H3
InChIKeyOVWNDBSVAOBWFL-UHFFFAOYSA-N
XLogP1.90
TPSA4.93 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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydroisoindole?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroisoindole (CID 58435762) is 2-methyl-4,5,6,7-tetrahydroisoindole.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroisoindole?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroisoindole is Cn1cc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroisoindole?
The InChIKey is OVWNDBSVAOBWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-10-6-8-4-2-3-5-9(8)7-10/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydroisoindole?
2-methyl-4,5,6,7-tetrahydroisoindole has a molecular weight of 135.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydroisoindole is sourced from PubChem (CID 58435762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).