1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one

C12H23NO4 — CID 102934680

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C12H23NO4/c1-3-5-16-6-4-12(15)13-7-10(2)17-11(8-13)9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyLYLPCNDGSBMPRK-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.41
Rot. Bonds6

About 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one (PubChem CID 102934680) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one
PubChem CID102934680
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C12H23NO4/c1-3-5-16-6-4-12(15)13-7-10(2)17-11(8-13)9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyLYLPCNDGSBMPRK-UHFFFAOYSA-N
XLogP0.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.41
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)-6-methylmorpholin-4-yl]hexan-1-one
CID 102934611
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985
3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one
CID 102934754
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102932547
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one
CID 119304810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one (CID 102934680) is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one is CCCOCCC(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one?
The InChIKey is LYLPCNDGSBMPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-5-16-6-4-12(15)13-7-10(2)17-11(8-13)9-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one?
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one has a molecular weight of 245.32 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one is sourced from PubChem (CID 102934680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).