1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone

C10H19NO4 — CID 103804092

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H19NO4/c1-2-4-14-8-10(13)11-3-5-15-9(6-11)7-12/h9,12H,2-8H2,1H3
InChIKeyQYQRMHLRVYGPAZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.37
Rot. Bonds5

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone

1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone (PubChem CID 103804092) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
PubChem CID103804092
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H19NO4/c1-2-4-14-8-10(13)11-3-5-15-9(6-11)7-12/h9,12H,2-8H2,1H3
InChIKeyQYQRMHLRVYGPAZ-UHFFFAOYSA-N
XLogP-0.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604041
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone (CID 103804092) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone is CCCOCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone?
The InChIKey is QYQRMHLRVYGPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-4-14-8-10(13)11-3-5-15-9(6-11)7-12/h9,12H,2-8H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone has a molecular weight of 217.26 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone is sourced from PubChem (CID 103804092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).