2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one

C14H13NO2 — CID 139908642

IUPAC2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(Cn2cc3ccccc3c2)C1
InChIInChI=1S/C14H13NO2/c16-13-5-6-17-14(7-13)10-15-8-11-3-1-2-4-12(11)9-15/h1-6,8-9,14H,7,10H2
InChIKeyRAEYDHPKXNJEMX-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.51
Rot. Bonds2

About 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one

2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one (PubChem CID 139908642) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one
PubChem CID139908642
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(Cn2cc3ccccc3c2)C1
InChIInChI=1S/C14H13NO2/c16-13-5-6-17-14(7-13)10-15-8-11-3-1-2-4-12(11)9-15/h1-6,8-9,14H,7,10H2
InChIKeyRAEYDHPKXNJEMX-UHFFFAOYSA-N
XLogP2.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one 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 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one (CID 139908642) is 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one is O=C1C=COC(Cn2cc3ccccc3c2)C1.
What is the InChIKey of 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one?
The InChIKey is RAEYDHPKXNJEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-5-6-17-14(7-13)10-15-8-11-3-1-2-4-12(11)9-15/h1-6,8-9,14H,7,10H2.
What are the key properties of 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one?
2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one has a molecular weight of 227.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isoindol-2-ylmethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 139908642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).