4-(cyclopropanecarbonyl)morpholine-2,6-dione

C8H9NO4 — CID 53273595

IUPAC4-(cyclopropanecarbonyl)morpholine-2,6-dione
SMILESO=C1CN(C(=O)C2CC2)CC(=O)O1
InChIInChI=1S/C8H9NO4/c10-6-3-9(4-7(11)13-6)8(12)5-1-2-5/h5H,1-4H2
InChIKeyWBJJPOBDTSOQRK-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.69
Rot. Bonds1

About 4-(cyclopropanecarbonyl)morpholine-2,6-dione

4-(cyclopropanecarbonyl)morpholine-2,6-dione (PubChem CID 53273595) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)morpholine-2,6-dione
PubChem CID53273595
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name4-(cyclopropanecarbonyl)morpholine-2,6-dione
SMILESO=C1CN(C(=O)C2CC2)CC(=O)O1
InChIInChI=1S/C8H9NO4/c10-6-3-9(4-7(11)13-6)8(12)5-1-2-5/h5H,1-4H2
InChIKeyWBJJPOBDTSOQRK-UHFFFAOYSA-N
XLogP-0.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(cyclopropanecarbonyl)morpholine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)morpholine-2,6-dione?
The IUPAC name of 4-(cyclopropanecarbonyl)morpholine-2,6-dione (CID 53273595) is 4-(cyclopropanecarbonyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(cyclopropanecarbonyl)morpholine-2,6-dione?
The canonical SMILES for 4-(cyclopropanecarbonyl)morpholine-2,6-dione is O=C1CN(C(=O)C2CC2)CC(=O)O1.
What is the InChIKey of 4-(cyclopropanecarbonyl)morpholine-2,6-dione?
The InChIKey is WBJJPOBDTSOQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-6-3-9(4-7(11)13-6)8(12)5-1-2-5/h5H,1-4H2.
What are the key properties of 4-(cyclopropanecarbonyl)morpholine-2,6-dione?
4-(cyclopropanecarbonyl)morpholine-2,6-dione has a molecular weight of 183.16 g/mol, XLogP of -0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)morpholine-2,6-dione is sourced from PubChem (CID 53273595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).