2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one

C16H16N2O2 — CID 141211031

IUPAC2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one
SMILESCN(C)c1cccc(N2C(=O)c3ccccc3C2O)c1
InChIInChI=1S/C16H16N2O2/c1-17(2)11-6-5-7-12(10-11)18-15(19)13-8-3-4-9-14(13)16(18)20/h3-10,15,19H,1-2H3
InChIKeyLYMXGSPKFLTNAH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.40
Rot. Bonds2

About 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one

2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 141211031) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one
PubChem CID141211031
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one
SMILESCN(C)c1cccc(N2C(=O)c3ccccc3C2O)c1
InChIInChI=1S/C16H16N2O2/c1-17(2)11-6-5-7-12(10-11)18-15(19)13-8-3-4-9-14(13)16(18)20/h3-10,15,19H,1-2H3
InChIKeyLYMXGSPKFLTNAH-UHFFFAOYSA-N
XLogP2.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 141210941
(3R)-2-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxy-3H-isoindol-1-one
CID 132539406
2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 5309890
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 57249849
2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 141210836
2-[3-(1-hydroxy-3-oxo-6-phenoxy-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 142393891
3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one
CID 10491926
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991
1-[3-(dimethylamino)phenyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581667
2-[3-(dimethylamino)phenyl]-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one;hydrochloride
CID 25052824

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one (CID 141211031) is 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one is CN(C)c1cccc(N2C(=O)c3ccccc3C2O)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is LYMXGSPKFLTNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17(2)11-6-5-7-12(10-11)18-15(19)13-8-3-4-9-14(13)16(18)20/h3-10,15,19H,1-2H3.
What are the key properties of 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one?
2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 268.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 141211031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).