2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione

C16H12N2O3 — CID 135446697

IUPAC2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione
SMILESC/C(=N\N1C(=O)c2ccccc2C1=O)c1ccccc1O
InChIInChI=1S/C16H12N2O3/c1-10(11-6-4-5-9-14(11)19)17-18-15(20)12-7-2-3-8-13(12)16(18)21/h2-9,19H,1H3/b17-10+
InChIKeyYUWJDZXDBIDSEL-LICLKQGHSA-N
MW280.28 g/mol
LogP2.41
Rot. Bonds2

About 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione

2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione (PubChem CID 135446697) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione
PubChem CID135446697
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione
SMILESC/C(=N\N1C(=O)c2ccccc2C1=O)c1ccccc1O
InChIInChI=1S/C16H12N2O3/c1-10(11-6-4-5-9-14(11)19)17-18-15(20)12-7-2-3-8-13(12)16(18)21/h2-9,19H,1H3/b17-10+
InChIKeyYUWJDZXDBIDSEL-LICLKQGHSA-N
XLogP2.41
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
CID 3098837
[5-hydroxy-5-(2-hydroxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 2857746
4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937527
N-(1,3-dioxoisoindol-2-yl)-2-hydroxybenzamide
CID 871573
1-[(2-Hydroxyphenyl)carbonyl]-3-methyl-2-pyrazolin-5-one
CID 5195985
(4E)-2-(2-hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 5467417
(4E)-2-(2-hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 135499334
(4E)-2-(2-hydroxybenzoyl)-4-[(4-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 135499335
(2-Hydroxy-phenyl)-(5-hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-y
CID 3147071
(5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)(phenyl)methanone
CID 53233129
(5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)ptolyl)methanone
CID 54583763
N-(5-Bromosalicylideneamino)-phthalimide
CID 135448417

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione (CID 135446697) is 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione is C/C(=N\N1C(=O)c2ccccc2C1=O)c1ccccc1O.
What is the InChIKey of 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione?
The InChIKey is YUWJDZXDBIDSEL-LICLKQGHSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10(11-6-4-5-9-14(11)19)17-18-15(20)12-7-2-3-8-13(12)16(18)21/h2-9,19H,1H3/b17-10+.
What are the key properties of 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione?
2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione has a molecular weight of 280.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135446697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).