1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one

C11H17N3O3 — CID 81208109

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCOC(CO)C1
InChIInChI=1S/C11H17N3O3/c15-8-10-7-14(5-6-17-10)11(16)1-3-13-4-2-12-9-13/h2,4,9-10,15H,1,3,5-8H2
InChIKeyFFNIIXRBEDIVSS-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.51
Rot. Bonds4

About 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one

1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 81208109) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID81208109
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCOC(CO)C1
InChIInChI=1S/C11H17N3O3/c15-8-10-7-14(5-6-17-10)11(16)1-3-13-4-2-12-9-13/h2,4,9-10,15H,1,3,5-8H2
InChIKeyFFNIIXRBEDIVSS-UHFFFAOYSA-N
XLogP-0.51
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844736
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174624
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166570
3-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511815
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
CID 81202936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one (CID 81208109) is 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is FFNIIXRBEDIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-8-10-7-14(5-6-17-10)11(16)1-3-13-4-2-12-9-13/h2,4,9-10,15H,1,3,5-8H2.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 239.27 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 81208109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).