1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one

C11H17N3O2 — CID 116595774

IUPAC1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one
SMILESCn1ccnc1CC(=O)CC1COCCN1
InChIInChI=1S/C11H17N3O2/c1-14-4-2-13-11(14)7-10(15)6-9-8-16-5-3-12-9/h2,4,9,12H,3,5-8H2,1H3
InChIKeyMQWXILHEMRUTRV-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.09
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one

1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one (PubChem CID 116595774) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one
PubChem CID116595774
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one
SMILESCn1ccnc1CC(=O)CC1COCCN1
InChIInChI=1S/C11H17N3O2/c1-14-4-2-13-11(14)7-10(15)6-9-8-16-5-3-12-9/h2,4,9,12H,3,5-8H2,1H3
InChIKeyMQWXILHEMRUTRV-UHFFFAOYSA-N
XLogP-0.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one
CID 114533270
1-morpholin-3-yl-3-pyridin-2-ylpropan-2-one
CID 116595828
1-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595810
1-(1-methylimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105116333
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide
CID 56909174
1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 116587551
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-3-ylethanone
CID 72923445
1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 116583786
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
CID 80682093

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one (CID 116595774) is 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one is Cn1ccnc1CC(=O)CC1COCCN1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one?
The InChIKey is MQWXILHEMRUTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-4-2-13-11(14)7-10(15)6-9-8-16-5-3-12-9/h2,4,9,12H,3,5-8H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one?
1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one has a molecular weight of 223.28 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one is sourced from PubChem (CID 116595774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).