(4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one

C12H13N3O3 — CID 135493956

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCOCC2)=N/C1=C\c1ccco1
InChIInChI=1S/C12H13N3O3/c16-11-10(8-9-2-1-5-18-9)13-12(14-11)15-3-6-17-7-4-15/h1-2,5,8H,3-4,6-7H2,(H,13,14,16)/b10-8-
InChIKeyGIRLTLLUUVVRRH-NTMALXAHSA-N
MW247.25 g/mol
LogP0.44
Rot. Bonds1

About (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one (PubChem CID 135493956) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one
PubChem CID135493956
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCOCC2)=N/C1=C\c1ccco1
InChIInChI=1S/C12H13N3O3/c16-11-10(8-9-2-1-5-18-9)13-12(14-11)15-3-6-17-7-4-15/h1-2,5,8H,3-4,6-7H2,(H,13,14,16)/b10-8-
InChIKeyGIRLTLLUUVVRRH-NTMALXAHSA-N
XLogP0.44
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one (CID 135493956) is (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one is O=C1NC(N2CCOCC2)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one?
The InChIKey is GIRLTLLUUVVRRH-NTMALXAHSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-11-10(8-9-2-1-5-18-9)13-12(14-11)15-3-6-17-7-4-15/h1-2,5,8H,3-4,6-7H2,(H,13,14,16)/b10-8-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one has a molecular weight of 247.25 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-morpholin-4-yl-1H-imidazol-5-one is sourced from PubChem (CID 135493956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).