2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one

C9H17NO3 — CID 54015467

IUPAC2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one
SMILESCCC(C)(O)C(=O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-3-9(2,12)8(11)10-4-6-13-7-5-10/h12H,3-7H2,1-2H3
InChIKeyWNHDFTGCOQMZLA-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.01
Rot. Bonds2

About 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one

2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 54015467) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID54015467
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one
SMILESCCC(C)(O)C(=O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-3-9(2,12)8(11)10-4-6-13-7-5-10/h12H,3-7H2,1-2H3
InChIKeyWNHDFTGCOQMZLA-UHFFFAOYSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one (CID 54015467) is 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one is CCC(C)(O)C(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is WNHDFTGCOQMZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-9(2,12)8(11)10-4-6-13-7-5-10/h12H,3-7H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one?
2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 187.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 54015467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).