2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one

C11H20N2O3 — CID 102932657

IUPAC2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
SMILESC=CCC(N)C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C11H20N2O3/c1-3-4-10(12)11(15)13-5-8(2)16-9(6-13)7-14/h3,8-10,14H,1,4-7,12H2,2H3
InChIKeyMBRGFURIPIKPJZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.50
Rot. Bonds4

About 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one

2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one (PubChem CID 102932657) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
PubChem CID102932657
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
SMILESC=CCC(N)C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C11H20N2O3/c1-3-4-10(12)11(15)13-5-8(2)16-9(6-13)7-14/h3,8-10,14H,1,4-7,12H2,2H3
InChIKeyMBRGFURIPIKPJZ-UHFFFAOYSA-N
XLogP-0.50
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpentan-1-one
CID 102932545
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102932547
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 102932507
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(prop-2-enylamino)ethanone
CID 102932694
5-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpentan-1-one
CID 102932727
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985
2-[1-(2-aminopent-4-enoyl)azetidin-3-yl]propanoic acid
CID 116682246
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pent-4-en-1-one
CID 114678359
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one (CID 102932657) is 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one is C=CCC(N)C(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one?
The InChIKey is MBRGFURIPIKPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-10(12)11(15)13-5-8(2)16-9(6-13)7-14/h3,8-10,14H,1,4-7,12H2,2H3.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one?
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one has a molecular weight of 228.29 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one is sourced from PubChem (CID 102932657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).