[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone

C10H15N3O3 — CID 103511375

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H15N3O3/c1-12-7-11-4-9(12)10(15)13-2-3-16-8(5-13)6-14/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyLBVROJFZNSXBQG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.75
Rot. Bonds2

About [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone

[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103511375) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103511375
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H15N3O3/c1-12-7-11-4-9(12)10(15)13-2-3-16-8(5-13)6-14/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyLBVROJFZNSXBQG-UHFFFAOYSA-N
XLogP-0.75
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylimidazol-4-yl)-[2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 118791140
[2-(hydroxymethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442526
(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207907
[(4aR,7aS)-4-(oxolan-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazol-4-yl)methanone
CID 131640062
[(4aR,7aS)-4-[[(2R)-oxolan-2-yl]methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazol-4-yl)methanone
CID 97402814
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[2-(hydroxymethyl)morpholin-4-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114609732

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone (CID 103511375) is [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is LBVROJFZNSXBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12-7-11-4-9(12)10(15)13-2-3-16-8(5-13)6-14/h4,7-8,14H,2-3,5-6H2,1H3.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone?
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 225.25 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103511375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).