1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one

C14H26N4O2 — CID 159162637

IUPAC1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.CN1CCOCC1.Cn1ccnc1
InChIInChI=1S/C5H11NO.C5H9NO.C4H6N2/c1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-3-2-5-4-6/h2-5H2,1H3;2-4H2,1H3;2-4H,1H3
InChIKeyKKRMQDVZZNXEHQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.61
Rot. Bonds

About 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one

1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one (PubChem CID 159162637) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one
PubChem CID159162637
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.CN1CCOCC1.Cn1ccnc1
InChIInChI=1S/C5H11NO.C5H9NO.C4H6N2/c1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-3-2-5-4-6/h2-5H2,1H3;2-4H2,1H3;2-4H,1H3
InChIKeyKKRMQDVZZNXEHQ-UHFFFAOYSA-N
XLogP0.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-imidazole-1-carbonyl)morpholine
CID 5230546
1-Ethenyl-3-methylimidazol-3-ium;1-ethenylpyrrolidin-2-one;chloride
CID 163647
3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CID 11220989
1-(3-Imidazol-1-yl-propyl)-4-(2-pyrrolidin-1-yl-ethyl)-piperazine-2,5-dione
CID 44399942
2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
CID 71894042
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226
(3aR,6aS)-5-(2-methoxyethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401736
1-[[8-(Morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 118739599
N-vinylimidazole N-vinylpyrrolidinone
CID 21583951
1-Ethenyl-3-methylimidazol-3-ium;1-ethenylpyrrolidin-2-one;methyl sulfate
CID 44151494
2-Methoxy-1-[4-(1-methyl-2-imidazolyl)-1-piperazinyl]-1-ethanone
CID 25284771

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one?
The IUPAC name of 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one (CID 159162637) is 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one.
What is the SMILES notation for 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one?
The canonical SMILES for 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one is CN1CCCC1=O.CN1CCOCC1.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one?
The InChIKey is KKRMQDVZZNXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C5H9NO.C4H6N2/c1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-3-2-5-4-6/h2-5H2,1H3;2-4H2,1H3;2-4H,1H3.
What are the key properties of 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one?
1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one has a molecular weight of 282.39 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;4-methylmorpholine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 159162637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).