2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione

C13H20N2O4 — CID 2735525

IUPAC2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione
SMILESC=C(CC(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H20N2O4/c1-11(13(17)15-4-8-19-9-5-15)10-12(16)14-2-6-18-7-3-14/h1-10H2
InChIKeyAYGNZRTYCXSCDZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.35
Rot. Bonds3

About 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione

2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione (PubChem CID 2735525) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione.

Molecular Properties

Compound Name2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione
PubChem CID2735525
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione
SMILESC=C(CC(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H20N2O4/c1-11(13(17)15-4-8-19-9-5-15)10-12(16)14-2-6-18-7-3-14/h1-10H2
InChIKeyAYGNZRTYCXSCDZ-UHFFFAOYSA-N
XLogP-0.35
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-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 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione?
The IUPAC name of 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione (CID 2735525) is 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione.
What is the SMILES notation for 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione?
The canonical SMILES for 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione is C=C(CC(=O)N1CCOCC1)C(=O)N1CCOCC1.
What is the InChIKey of 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione?
The InChIKey is AYGNZRTYCXSCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-11(13(17)15-4-8-19-9-5-15)10-12(16)14-2-6-18-7-3-14/h1-10H2.
What are the key properties of 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione?
2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione has a molecular weight of 268.31 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,4-dimorpholin-4-ylbutane-1,4-dione is sourced from PubChem (CID 2735525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).