4-methyl-7,7a-dihydro-1H-isoindole

C9H11N — CID 90969446

IUPAC4-methyl-7,7a-dihydro-1H-isoindole
SMILESCC1=C2C=NCC2CC=C1
InChIInChI=1S/C9H11N/c1-7-3-2-4-8-5-10-6-9(7)8/h2-3,6,8H,4-5H2,1H3
InChIKeyDAOPXMOCZQTWHR-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About 4-methyl-7,7a-dihydro-1H-isoindole

4-methyl-7,7a-dihydro-1H-isoindole (PubChem CID 90969446) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 4-methyl-7,7a-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-methyl-7,7a-dihydro-1H-isoindole
PubChem CID90969446
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name4-methyl-7,7a-dihydro-1H-isoindole
SMILESCC1=C2C=NCC2CC=C1
InChIInChI=1S/C9H11N/c1-7-3-2-4-8-5-10-6-9(7)8/h2-3,6,8H,4-5H2,1H3
InChIKeyDAOPXMOCZQTWHR-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70267509
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,7a-dihydro-1H-isoindole?
The IUPAC name of 4-methyl-7,7a-dihydro-1H-isoindole (CID 90969446) is 4-methyl-7,7a-dihydro-1H-isoindole.
What is the SMILES notation for 4-methyl-7,7a-dihydro-1H-isoindole?
The canonical SMILES for 4-methyl-7,7a-dihydro-1H-isoindole is CC1=C2C=NCC2CC=C1.
What is the InChIKey of 4-methyl-7,7a-dihydro-1H-isoindole?
The InChIKey is DAOPXMOCZQTWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-3-2-4-8-5-10-6-9(7)8/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 4-methyl-7,7a-dihydro-1H-isoindole?
4-methyl-7,7a-dihydro-1H-isoindole has a molecular weight of 133.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,7a-dihydro-1H-isoindole is sourced from PubChem (CID 90969446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).