3-hydroxy-1-morpholin-4-ylbutan-1-one

C8H15NO3 — CID 16770031

IUPAC3-hydroxy-1-morpholin-4-ylbutan-1-one
SMILESCC(O)CC(=O)N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-7(10)6-8(11)9-2-4-12-5-3-9/h7,10H,2-6H2,1H3
InChIKeyHUMACWIMWGVBGQ-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.38
Rot. Bonds2

About 3-hydroxy-1-morpholin-4-ylbutan-1-one

3-hydroxy-1-morpholin-4-ylbutan-1-one (PubChem CID 16770031) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-hydroxy-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-morpholin-4-ylbutan-1-one
PubChem CID16770031
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-hydroxy-1-morpholin-4-ylbutan-1-one
SMILESCC(O)CC(=O)N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-7(10)6-8(11)9-2-4-12-5-3-9/h7,10H,2-6H2,1H3
InChIKeyHUMACWIMWGVBGQ-UHFFFAOYSA-N
XLogP-0.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 3-hydroxy-1-morpholin-4-ylbutan-1-one (CID 16770031) is 3-hydroxy-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-hydroxy-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 3-hydroxy-1-morpholin-4-ylbutan-1-one is CC(O)CC(=O)N1CCOCC1.
What is the InChIKey of 3-hydroxy-1-morpholin-4-ylbutan-1-one?
The InChIKey is HUMACWIMWGVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(10)6-8(11)9-2-4-12-5-3-9/h7,10H,2-6H2,1H3.
What are the key properties of 3-hydroxy-1-morpholin-4-ylbutan-1-one?
3-hydroxy-1-morpholin-4-ylbutan-1-one has a molecular weight of 173.21 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 16770031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).