4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione

C13H13NO4 — CID 63777403

IUPAC4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(CC2Cc3ccccc3O2)CC(=O)O1
InChIInChI=1S/C13H13NO4/c15-12-7-14(8-13(16)18-12)6-10-5-9-3-1-2-4-11(9)17-10/h1-4,10H,5-8H2
InChIKeyVJZHIBRFRVXJFQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.38
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione

4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione (PubChem CID 63777403) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
PubChem CID63777403
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(CC2Cc3ccccc3O2)CC(=O)O1
InChIInChI=1S/C13H13NO4/c15-12-7-14(8-13(16)18-12)6-10-5-9-3-1-2-4-11(9)17-10/h1-4,10H,5-8H2
InChIKeyVJZHIBRFRVXJFQ-UHFFFAOYSA-N
XLogP0.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione (CID 63777403) is 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione is O=C1CN(CC2Cc3ccccc3O2)CC(=O)O1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione?
The InChIKey is VJZHIBRFRVXJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-12-7-14(8-13(16)18-12)6-10-5-9-3-1-2-4-11(9)17-10/h1-4,10H,5-8H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione?
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione has a molecular weight of 247.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione is sourced from PubChem (CID 63777403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).