4-(naphthalen-1-ylmethyl)morpholine-2,6-dione

C15H13NO3 — CID 63788360

IUPAC4-(naphthalen-1-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(Cc2cccc3ccccc23)CC(=O)O1
InChIInChI=1S/C15H13NO3/c17-14-9-16(10-15(18)19-14)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKeyRDRWWLYKEKWEFC-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.73
Rot. Bonds2

About 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione

4-(naphthalen-1-ylmethyl)morpholine-2,6-dione (PubChem CID 63788360) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)morpholine-2,6-dione
PubChem CID63788360
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-(naphthalen-1-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(Cc2cccc3ccccc23)CC(=O)O1
InChIInChI=1S/C15H13NO3/c17-14-9-16(10-15(18)19-14)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKeyRDRWWLYKEKWEFC-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(naphthalen-1-ylmethyl)morpholine-2,6-dione?
The IUPAC name of 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione (CID 63788360) is 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione is O=C1CN(Cc2cccc3ccccc23)CC(=O)O1.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione?
The InChIKey is RDRWWLYKEKWEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-9-16(10-15(18)19-14)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2.
What are the key properties of 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione?
4-(naphthalen-1-ylmethyl)morpholine-2,6-dione has a molecular weight of 255.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)morpholine-2,6-dione is sourced from PubChem (CID 63788360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).