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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Related Compounds

1-(2,3-dihydro-1H-isoindol-1-yl)-2-methylpropan-1-one
CID 166510836
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561998
2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561963
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
CID 23248
amino-oxo-[4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]phenyl]azanium
CID 173305762
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549786
N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide
CID 57440520
2,3-dihydro-1H-isoindol-1-yl-(4-methylpiperazin-1-yl)methanone
CID 115104650
2-(3-bromo-5-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561991
2-phenyl-1-(1,3,5-triazinan-2-yl)ethanone
CID 174609991
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-1-carboxamide
CID 131736757
N-[(1-hydroxycyclopropyl)methylsulfonyl]-2,3-dihydro-1H-isoindole-1-carboxamide
CID 161134839

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).