1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone

C16H15NO — CID 90758928

IUPAC1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1NCc2ccccc21
InChIInChI=1S/C16H15NO/c18-15(10-12-6-2-1-3-7-12)16-14-9-5-4-8-13(14)11-17-16/h1-9,16-17H,10-11H2
InChIKeyHUWFHXDLXLCALA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.64
Rot. Bonds3

About 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone

1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone (PubChem CID 90758928) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone
PubChem CID90758928
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1NCc2ccccc21
InChIInChI=1S/C16H15NO/c18-15(10-12-6-2-1-3-7-12)16-14-9-5-4-8-13(14)11-17-16/h1-9,16-17H,10-11H2
InChIKeyHUWFHXDLXLCALA-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone (CID 90758928) is 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)C1NCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone?
The InChIKey is HUWFHXDLXLCALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-15(10-12-6-2-1-3-7-12)16-14-9-5-4-8-13(14)11-17-16/h1-9,16-17H,10-11H2.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone?
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone has a molecular weight of 237.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone is sourced from PubChem (CID 90758928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).