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

C11H17N3O2 — CID 114533270

IUPAC3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one
SMILESCn1ccnc1CCC(=O)C1COCCN1
InChIInChI=1S/C11H17N3O2/c1-14-6-4-13-11(14)3-2-10(15)9-8-16-7-5-12-9/h4,6,9,12H,2-3,5,7-8H2,1H3
InChIKeyZYYAXWZHDFYIND-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.09
Rot. Bonds4

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

3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one (PubChem CID 114533270) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one
PubChem CID114533270
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one
SMILESCn1ccnc1CCC(=O)C1COCCN1
InChIInChI=1S/C11H17N3O2/c1-14-6-4-13-11(14)3-2-10(15)9-8-16-7-5-12-9/h4,6,9,12H,2-3,5,7-8H2,1H3
InChIKeyZYYAXWZHDFYIND-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

1-(azepan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533288
1-(1,4-dioxan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811960
1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595774
1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811939
1-(4-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533209
(1-ethylimidazol-2-yl)-morpholin-3-ylmethanone
CID 116576330
3-cyclopropyl-1-morpholin-3-ylpropan-1-one
CID 116576372
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
CID 107062100
1-(2-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533280
1-morpholin-3-ylpropan-1-one
CID 54487560
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 119698985

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one (CID 114533270) is 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one is Cn1ccnc1CCC(=O)C1COCCN1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one?
The InChIKey is ZYYAXWZHDFYIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-6-4-13-11(14)3-2-10(15)9-8-16-7-5-12-9/h4,6,9,12H,2-3,5,7-8H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one?
3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-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 3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one is sourced from PubChem (CID 114533270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).