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

C8H15NO3 — CID 21098795

IUPAC2-hydroxy-1-morpholin-4-ylbutan-1-one
SMILESCCC(O)C(=O)N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-2-7(10)8(11)9-3-5-12-6-4-9/h7,10H,2-6H2,1H3
InChIKeyBXMDPDIKIGETOG-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.38
Rot. Bonds2

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

2-hydroxy-1-morpholin-4-ylbutan-1-one (PubChem CID 21098795) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-hydroxy-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-morpholin-4-ylbutan-1-one
PubChem CID21098795
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-hydroxy-1-morpholin-4-ylbutan-1-one
SMILESCCC(O)C(=O)N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-2-7(10)8(11)9-3-5-12-6-4-9/h7,10H,2-6H2,1H3
InChIKeyBXMDPDIKIGETOG-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 2-hydroxy-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-hydroxy-1-morpholin-4-ylbutan-1-one (CID 21098795) is 2-hydroxy-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-hydroxy-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-hydroxy-1-morpholin-4-ylbutan-1-one is CCC(O)C(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-1-morpholin-4-ylbutan-1-one?
The InChIKey is BXMDPDIKIGETOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-7(10)8(11)9-3-5-12-6-4-9/h7,10H,2-6H2,1H3.
What are the key properties of 2-hydroxy-1-morpholin-4-ylbutan-1-one?
2-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 2-hydroxy-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 21098795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).