(5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one

C11H17N3O2 — CID 154700627

IUPAC(5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one
SMILESCCC1=N/C(=C\N2CCOCC2)C(=O)N1C
InChIInChI=1S/C11H17N3O2/c1-3-10-12-9(11(15)13(10)2)8-14-4-6-16-7-5-14/h8H,3-7H2,1-2H3/b9-8-
InChIKeyXPARBPRKOWDMNI-HJWRWDBZSA-N
MW223.28 g/mol
LogP0.44
Rot. Bonds2

About (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one

(5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one (PubChem CID 154700627) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one
PubChem CID154700627
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one
SMILESCCC1=N/C(=C\N2CCOCC2)C(=O)N1C
InChIInChI=1S/C11H17N3O2/c1-3-10-12-9(11(15)13(10)2)8-14-4-6-16-7-5-14/h8H,3-7H2,1-2H3/b9-8-
InChIKeyXPARBPRKOWDMNI-HJWRWDBZSA-N
XLogP0.44
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5z)-2,3-Dimethyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700620
N,N-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90871963
1-Methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 141087183
2-(2-Methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone
CID 145096965
1-Methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide
CID 150229737
2,6-Dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 7748970
(E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
CID 56955404
N,N-dimethyl-N'-[(E)-3-morpholin-4-yl-3-oxo-1-pyrrolidin-1-ylprop-1-en-2-yl]methanimidamide
CID 56955405
N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 56955406
6-Chloro-2-ethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 113604503
6-Chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
CID 114584436
2,6-Dimethyl-3-[2-(morpholin-4-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 126857719

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one (CID 154700627) is (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one is CCC1=N/C(=C\N2CCOCC2)C(=O)N1C.
What is the InChIKey of (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one?
The InChIKey is XPARBPRKOWDMNI-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-10-12-9(11(15)13(10)2)8-14-4-6-16-7-5-14/h8H,3-7H2,1-2H3/b9-8-.
What are the key properties of (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one?
(5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-ethyl-3-methyl-5-(morpholin-4-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 154700627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).