2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone

C12H17N3O2 — CID 145096965

IUPAC2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESC=c1nc(C)n(CC(=O)N2CCOCC2)c1=C
InChIInChI=1S/C12H17N3O2/c1-9-10(2)15(11(3)13-9)8-12(16)14-4-6-17-7-5-14/h1-2,4-8H2,3H3
InChIKeyNIZYTGJOMXOMKB-UHFFFAOYSA-N
MW235.29 g/mol
LogP-1.13
Rot. Bonds2

About 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone

2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 145096965) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID145096965
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESC=c1nc(C)n(CC(=O)N2CCOCC2)c1=C
InChIInChI=1S/C12H17N3O2/c1-9-10(2)15(11(3)13-9)8-12(16)14-4-6-17-7-5-14/h1-2,4-8H2,3H3
InChIKeyNIZYTGJOMXOMKB-UHFFFAOYSA-N
XLogP-1.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Morpholin-4-yl-1-propan-2-ylpyrazin-2-one
CID 53015106
(5z)-2,3-Dimethyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700620
(5z)-2-Ethyl-3-methyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700627
N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide
CID 145096970
N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide
CID 145096976
2,6-Dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 7748970

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone (CID 145096965) is 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone is C=c1nc(C)n(CC(=O)N2CCOCC2)c1=C.
What is the InChIKey of 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is NIZYTGJOMXOMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-10(2)15(11(3)13-9)8-12(16)14-4-6-17-7-5-14/h1-2,4-8H2,3H3.
What are the key properties of 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone?
2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 235.29 g/mol, XLogP of -1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5-dimethylideneimidazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 145096965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).