4-(3,4-dimethylphenyl)morpholine-2,6-dione

C12H13NO3 — CID 63777937

IUPAC4-(3,4-dimethylphenyl)morpholine-2,6-dione
SMILESCc1ccc(N2CC(=O)OC(=O)C2)cc1C
InChIInChI=1S/C12H13NO3/c1-8-3-4-10(5-9(8)2)13-6-11(14)16-12(15)7-13/h3-5H,6-7H2,1-2H3
InChIKeyAWVRSMXFWADTCW-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.19
Rot. Bonds1

About 4-(3,4-dimethylphenyl)morpholine-2,6-dione

4-(3,4-dimethylphenyl)morpholine-2,6-dione (PubChem CID 63777937) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)morpholine-2,6-dione
PubChem CID63777937
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-(3,4-dimethylphenyl)morpholine-2,6-dione
SMILESCc1ccc(N2CC(=O)OC(=O)C2)cc1C
InChIInChI=1S/C12H13NO3/c1-8-3-4-10(5-9(8)2)13-6-11(14)16-12(15)7-13/h3-5H,6-7H2,1-2H3
InChIKeyAWVRSMXFWADTCW-UHFFFAOYSA-N
XLogP1.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)morpholine-2,6-dione?
The IUPAC name of 4-(3,4-dimethylphenyl)morpholine-2,6-dione (CID 63777937) is 4-(3,4-dimethylphenyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(3,4-dimethylphenyl)morpholine-2,6-dione?
The canonical SMILES for 4-(3,4-dimethylphenyl)morpholine-2,6-dione is Cc1ccc(N2CC(=O)OC(=O)C2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)morpholine-2,6-dione?
The InChIKey is AWVRSMXFWADTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-3-4-10(5-9(8)2)13-6-11(14)16-12(15)7-13/h3-5H,6-7H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)morpholine-2,6-dione?
4-(3,4-dimethylphenyl)morpholine-2,6-dione has a molecular weight of 219.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)morpholine-2,6-dione is sourced from PubChem (CID 63777937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).