4-(1-hydroxyprop-2-enyl)morpholin-3-one

C7H11NO3 — CID 173074433

IUPAC4-(1-hydroxyprop-2-enyl)morpholin-3-one
SMILESC=CC(O)N1CCOCC1=O
InChIInChI=1S/C7H11NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2,6,9H,1,3-5H2
InChIKeyUVVUCVUUZFKXOO-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.65
Rot. Bonds2

About 4-(1-hydroxyprop-2-enyl)morpholin-3-one

4-(1-hydroxyprop-2-enyl)morpholin-3-one (PubChem CID 173074433) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-(1-hydroxyprop-2-enyl)morpholin-3-one.

Molecular Properties

Compound Name4-(1-hydroxyprop-2-enyl)morpholin-3-one
PubChem CID173074433
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-(1-hydroxyprop-2-enyl)morpholin-3-one
SMILESC=CC(O)N1CCOCC1=O
InChIInChI=1S/C7H11NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2,6,9H,1,3-5H2
InChIKeyUVVUCVUUZFKXOO-UHFFFAOYSA-N
XLogP-0.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyprop-2-enyl)morpholin-3-one?
The IUPAC name of 4-(1-hydroxyprop-2-enyl)morpholin-3-one (CID 173074433) is 4-(1-hydroxyprop-2-enyl)morpholin-3-one.
What is the SMILES notation for 4-(1-hydroxyprop-2-enyl)morpholin-3-one?
The canonical SMILES for 4-(1-hydroxyprop-2-enyl)morpholin-3-one is C=CC(O)N1CCOCC1=O.
What is the InChIKey of 4-(1-hydroxyprop-2-enyl)morpholin-3-one?
The InChIKey is UVVUCVUUZFKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2,6,9H,1,3-5H2.
What are the key properties of 4-(1-hydroxyprop-2-enyl)morpholin-3-one?
4-(1-hydroxyprop-2-enyl)morpholin-3-one has a molecular weight of 157.17 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyprop-2-enyl)morpholin-3-one is sourced from PubChem (CID 173074433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).