6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one

C20H17NO3 — CID 155273056

IUPAC6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one
SMILESO=C(CCn1cc2ccccc2c1)c1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C20H17NO3/c22-18(7-9-21-12-15-3-1-2-4-16(15)13-21)14-5-6-20-17(11-14)19(23)8-10-24-20/h1-6,11-13H,7-10H2
InChIKeyVIZWUTJRCKQENL-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.88
Rot. Bonds4

About 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one

6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one (PubChem CID 155273056) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one
PubChem CID155273056
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one
SMILESO=C(CCn1cc2ccccc2c1)c1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C20H17NO3/c22-18(7-9-21-12-15-3-1-2-4-16(15)13-21)14-5-6-20-17(11-14)19(23)8-10-24-20/h1-6,11-13H,7-10H2
InChIKeyVIZWUTJRCKQENL-UHFFFAOYSA-N
XLogP3.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one (CID 155273056) is 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one is O=C(CCn1cc2ccccc2c1)c1ccc2c(c1)C(=O)CCO2.
What is the InChIKey of 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one?
The InChIKey is VIZWUTJRCKQENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-18(7-9-21-12-15-3-1-2-4-16(15)13-21)14-5-6-20-17(11-14)19(23)8-10-24-20/h1-6,11-13H,7-10H2.
What are the key properties of 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one?
6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one has a molecular weight of 319.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 155273056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).