(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate

C19H11NO6 — CID 7765330

IUPAC(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H11NO6/c21-14-9-16(26-15-8-4-3-7-13(14)15)19(24)25-10-20-17(22)11-5-1-2-6-12(11)18(20)23/h1-9H,10H2
InChIKeyWJGACKOZVJJGLP-UHFFFAOYSA-N
MW349.30 g/mol
LogP2.20
Rot. Bonds3

About (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate

(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate (PubChem CID 7765330) has the molecular formula C19H11NO6 and a molecular weight of 349.30 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate
PubChem CID7765330
Molecular FormulaC19H11NO6
Molecular Weight349.30 g/mol
Exact Mass349.06
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H11NO6/c21-14-9-16(26-15-8-4-3-7-13(14)15)19(24)25-10-20-17(22)11-5-1-2-6-12(11)18(20)23/h1-9H,10H2
InChIKeyWJGACKOZVJJGLP-UHFFFAOYSA-N
XLogP2.20
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-allylphenoxy)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
CID 2916180
2-acetyl-4-methylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 733522
2-(3-Phenoxypropyl)isoindoline-1,3-dione
CID 249759
2-(1,3-Dioxoisoindolin-2-yl)ethyl benzofuran-2-carboxylate
CID 730704
4-fluorophenyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 891016
(1,3-Dioxoisoindolin-2-yl)methyl 4-methoxybenzoate
CID 892857
(1,3-Dioxoisoindol-2-yl)methyl furan-2-carboxylate
CID 892962
2-(1,3-Dioxoisoindol-2-yl)ethyl 3-(2-methoxyphenoxy)propanoate
CID 2404400
(1,3-Dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate
CID 16604811
[2-[Benzyl(methyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2350989
Cambridge id 6974443
CID 802241
4-methoxyphenyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
CID 891156

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate (CID 7765330) is (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate is O=C(OCN1C(=O)c2ccccc2C1=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate?
The InChIKey is WJGACKOZVJJGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO6/c21-14-9-16(26-15-8-4-3-7-13(14)15)19(24)25-10-20-17(22)11-5-1-2-6-12(11)18(20)23/h1-9H,10H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate?
(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate has a molecular weight of 349.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate is sourced from PubChem (CID 7765330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).