2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione

C19H12N2O3 — CID 135448414

IUPAC2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H12N2O3/c22-17-10-9-12-5-1-2-6-13(12)16(17)11-20-21-18(23)14-7-3-4-8-15(14)19(21)24/h1-11,22H/b20-11+
InChIKeyYJBNVIVGMIPTTB-RGVLZGJSSA-N
MW316.32 g/mol
LogP3.18
Rot. Bonds2

About 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione

2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione (PubChem CID 135448414) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
PubChem CID135448414
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H12N2O3/c22-17-10-9-12-5-1-2-6-13(12)16(17)11-20-21-18(23)14-7-3-4-8-15(14)19(21)24/h1-11,22H/b20-11+
InChIKeyYJBNVIVGMIPTTB-RGVLZGJSSA-N
XLogP3.18
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione (CID 135448414) is 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione?
The InChIKey is YJBNVIVGMIPTTB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-17-10-9-12-5-1-2-6-13(12)16(17)11-20-21-18(23)14-7-3-4-8-15(14)19(21)24/h1-11,22H/b20-11+.
What are the key properties of 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione has a molecular weight of 316.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135448414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).