2-hydroxy-1-morpholin-4-ylprop-2-en-1-one

C7H11NO3 — CID 143931995

IUPAC2-hydroxy-1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(O)C(=O)N1CCOCC1
InChIInChI=1S/C7H11NO3/c1-6(9)7(10)8-2-4-11-5-3-8/h9H,1-5H2
InChIKeyNHTPHOQMQDVXKM-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.08
Rot. Bonds1

About 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one

2-hydroxy-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 143931995) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-1-morpholin-4-ylprop-2-en-1-one
PubChem CID143931995
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-hydroxy-1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(O)C(=O)N1CCOCC1
InChIInChI=1S/C7H11NO3/c1-6(9)7(10)8-2-4-11-5-3-8/h9H,1-5H2
InChIKeyNHTPHOQMQDVXKM-UHFFFAOYSA-N
XLogP-0.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one (CID 143931995) is 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one is C=C(O)C(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is NHTPHOQMQDVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(9)7(10)8-2-4-11-5-3-8/h9H,1-5H2.
What are the key properties of 2-hydroxy-1-morpholin-4-ylprop-2-en-1-one?
2-hydroxy-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 157.17 g/mol, XLogP of -0.08, 1 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-ylprop-2-en-1-one is sourced from PubChem (CID 143931995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).