3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole

C14H15NO — CID 175877700

IUPAC3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole
SMILESCC1(C2C=CC=CO2)NCc2ccccc21
InChIInChI=1S/C14H15NO/c1-14(13-8-4-5-9-16-13)12-7-3-2-6-11(12)10-15-14/h2-9,13,15H,10H2,1H3
InChIKeyZDYSCOCPJPOIGX-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.47
Rot. Bonds1

About 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole

3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole (PubChem CID 175877700) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole.

Molecular Properties

Compound Name3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole
PubChem CID175877700
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole
SMILESCC1(C2C=CC=CO2)NCc2ccccc21
InChIInChI=1S/C14H15NO/c1-14(13-8-4-5-9-16-13)12-7-3-2-6-11(12)10-15-14/h2-9,13,15H,10H2,1H3
InChIKeyZDYSCOCPJPOIGX-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole?
The IUPAC name of 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole (CID 175877700) is 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole.
What is the SMILES notation for 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole?
The canonical SMILES for 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole is CC1(C2C=CC=CO2)NCc2ccccc21.
What is the InChIKey of 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole?
The InChIKey is ZDYSCOCPJPOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(13-8-4-5-9-16-13)12-7-3-2-6-11(12)10-15-14/h2-9,13,15H,10H2,1H3.
What are the key properties of 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole?
3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole has a molecular weight of 213.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2H-pyran-2-yl)-1,2-dihydroisoindole is sourced from PubChem (CID 175877700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).