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

C9H17NO3 — CID 54112168

IUPAC4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(CCO)C(=O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-8(2-5-11)9(12)10-3-6-13-7-4-10/h8,11H,2-7H2,1H3
InChIKeyOSPPZMCQRXIXCG-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.14
Rot. Bonds3

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

4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 54112168) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID54112168
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(CCO)C(=O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-8(2-5-11)9(12)10-3-6-13-7-4-10/h8,11H,2-7H2,1H3
InChIKeyOSPPZMCQRXIXCG-UHFFFAOYSA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one (CID 54112168) is 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one is CC(CCO)C(=O)N1CCOCC1.
What is the InChIKey of 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is OSPPZMCQRXIXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2-5-11)9(12)10-3-6-13-7-4-10/h8,11H,2-7H2,1H3.
What are the key properties of 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one?
4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 187.24 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 54112168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).