1-methyl-2,3-dihydro-1H-isoindole

C9H11N — CID 14491714

IUPAC1-methyl-2,3-dihydro-1H-isoindole
SMILESCC1NCc2ccccc21
InChIInChI=1S/C9H11N/c1-7-9-5-3-2-4-8(9)6-10-7/h2-5,7,10H,6H2,1H3
InChIKeyUWMCJDIBDVFVFT-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.85
Rot. Bonds

About 1-methyl-2,3-dihydro-1H-isoindole

1-methyl-2,3-dihydro-1H-isoindole (PubChem CID 14491714) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-methyl-2,3-dihydro-1H-isoindole
PubChem CID14491714
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1-methyl-2,3-dihydro-1H-isoindole
SMILESCC1NCc2ccccc21
InChIInChI=1S/C9H11N/c1-7-9-5-3-2-4-8(9)6-10-7/h2-5,7,10H,6H2,1H3
InChIKeyUWMCJDIBDVFVFT-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-methyl-2,3-dihydro-1H-isoindole (CID 14491714) is 1-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-methyl-2,3-dihydro-1H-isoindole is CC1NCc2ccccc21.
What is the InChIKey of 1-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is UWMCJDIBDVFVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-9-5-3-2-4-8(9)6-10-7/h2-5,7,10H,6H2,1H3.
What are the key properties of 1-methyl-2,3-dihydro-1H-isoindole?
1-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 133.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 14491714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).