3-phenacyl-2,3-dihydroisoindol-1-one

C16H13NO2 — CID 10857928

IUPAC3-phenacyl-2,3-dihydroisoindol-1-one
SMILESO=C(CC1NC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16(19)17-14/h1-9,14H,10H2,(H,17,19)
InChIKeyKNABIZCJJUBYQY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.74
Rot. Bonds3

About 3-phenacyl-2,3-dihydroisoindol-1-one

3-phenacyl-2,3-dihydroisoindol-1-one (PubChem CID 10857928) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-phenacyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-phenacyl-2,3-dihydroisoindol-1-one
PubChem CID10857928
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-phenacyl-2,3-dihydroisoindol-1-one
SMILESO=C(CC1NC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16(19)17-14/h1-9,14H,10H2,(H,17,19)
InChIKeyKNABIZCJJUBYQY-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 164681172
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 164681170
(3S)-6-methoxy-3-phenacyl-2,3-dihydroisoindol-1-one
CID 164681160
(3S)-4-fluoro-3-phenacyl-2,3-dihydroisoindol-1-one
CID 164681162
3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
5-phenacylimidazolidine-2,4-dione
CID 15716927
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
(3S)-5,6,7-trimethoxy-3-phenacyl-2,3-dihydroisoindol-1-one
CID 164681151
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 154843739
(3S)-3-[2-[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 95399045

Frequently Asked Questions

What is the IUPAC name of 3-phenacyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-phenacyl-2,3-dihydroisoindol-1-one (CID 10857928) is 3-phenacyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-phenacyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-phenacyl-2,3-dihydroisoindol-1-one is O=C(CC1NC(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-phenacyl-2,3-dihydroisoindol-1-one?
The InChIKey is KNABIZCJJUBYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16(19)17-14/h1-9,14H,10H2,(H,17,19).
What are the key properties of 3-phenacyl-2,3-dihydroisoindol-1-one?
3-phenacyl-2,3-dihydroisoindol-1-one has a molecular weight of 251.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 10857928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).