1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole

C10H15N — CID 55286395

IUPAC1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
SMILESCc1[nH]cc2c1CCCC2C
InChIInChI=1S/C10H15N/c1-7-4-3-5-9-8(2)11-6-10(7)9/h6-7,11H,3-5H2,1-2H3
InChIKeyJWBFQSQBKYOIOR-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.76
Rot. Bonds

About 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole

1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole (PubChem CID 55286395) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole.

Molecular Properties

Compound Name1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
PubChem CID55286395
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
SMILESCc1[nH]cc2c1CCCC2C
InChIInChI=1S/C10H15N/c1-7-4-3-5-9-8(2)11-6-10(7)9/h6-7,11H,3-5H2,1-2H3
InChIKeyJWBFQSQBKYOIOR-UHFFFAOYSA-N
XLogP2.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole?
The IUPAC name of 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole (CID 55286395) is 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole.
What is the SMILES notation for 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole?
The canonical SMILES for 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole is Cc1[nH]cc2c1CCCC2C.
What is the InChIKey of 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole?
The InChIKey is JWBFQSQBKYOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-4-3-5-9-8(2)11-6-10(7)9/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole?
1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole has a molecular weight of 149.24 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole is sourced from PubChem (CID 55286395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).