N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide

C15H12N2O4 — CID 2842566

IUPACN-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide
SMILESO=C(NN1C(=O)C2C3C=CC(O3)C2C1=O)c1ccccc1
InChIInChI=1S/C15H12N2O4/c18-13(8-4-2-1-3-5-8)16-17-14(19)11-9-6-7-10(21-9)12(11)15(17)20/h1-7,9-12H,(H,16,18)
InChIKeyOVHZCESSRWPSTC-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.27
Rot. Bonds2

About N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide

N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide (PubChem CID 2842566) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide
PubChem CID2842566
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide
SMILESO=C(NN1C(=O)C2C3C=CC(O3)C2C1=O)c1ccccc1
InChIInChI=1S/C15H12N2O4/c18-13(8-4-2-1-3-5-8)16-17-14(19)11-9-6-7-10(21-9)12(11)15(17)20/h1-7,9-12H,(H,16,18)
InChIKeyOVHZCESSRWPSTC-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide?
The IUPAC name of N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide (CID 2842566) is N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide.
What is the SMILES notation for N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide?
The canonical SMILES for N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide is O=C(NN1C(=O)C2C3C=CC(O3)C2C1=O)c1ccccc1.
What is the InChIKey of N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide?
The InChIKey is OVHZCESSRWPSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-13(8-4-2-1-3-5-8)16-17-14(19)11-9-6-7-10(21-9)12(11)15(17)20/h1-7,9-12H,(H,16,18).
What are the key properties of N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide?
N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide has a molecular weight of 284.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzamide is sourced from PubChem (CID 2842566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).