(5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione

C8H11N3O3 — CID 101250553

IUPAC(5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/N2CCOCC2)N1
InChIInChI=1S/C8H11N3O3/c12-7-6(9-8(13)10-7)5-11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)/b6-5-
InChIKeyYABVIRCNKZDWKX-WAYWQWQTSA-N
MW197.19 g/mol
LogP-1.00
Rot. Bonds1

About (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione

(5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 101250553) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione
PubChem CID101250553
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/N2CCOCC2)N1
InChIInChI=1S/C8H11N3O3/c12-7-6(9-8(13)10-7)5-11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)/b6-5-
InChIKeyYABVIRCNKZDWKX-WAYWQWQTSA-N
XLogP-1.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione (CID 101250553) is (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/N2CCOCC2)N1.
What is the InChIKey of (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is YABVIRCNKZDWKX-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7-6(9-8(13)10-7)5-11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)/b6-5-.
What are the key properties of (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione?
(5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 197.19 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(morpholin-4-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 101250553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).