5-[(E)-pent-1-enyl]morpholin-3-one

C9H15NO2 — CID 178010773

IUPAC5-[(E)-pent-1-enyl]morpholin-3-one
SMILESCCC/C=C/C1COCC(=O)N1
InChIInChI=1S/C9H15NO2/c1-2-3-4-5-8-6-12-7-9(11)10-8/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)/b5-4+
InChIKeyAFYUHFNSIYOIIL-SNAWJCMRSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

About 5-[(E)-pent-1-enyl]morpholin-3-one

5-[(E)-pent-1-enyl]morpholin-3-one (PubChem CID 178010773) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-[(E)-pent-1-enyl]morpholin-3-one.

Molecular Properties

Compound Name5-[(E)-pent-1-enyl]morpholin-3-one
PubChem CID178010773
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-[(E)-pent-1-enyl]morpholin-3-one
SMILESCCC/C=C/C1COCC(=O)N1
InChIInChI=1S/C9H15NO2/c1-2-3-4-5-8-6-12-7-9(11)10-8/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)/b5-4+
InChIKeyAFYUHFNSIYOIIL-SNAWJCMRSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-[(E)-pent-1-enyl]morpholin-3-one?
The IUPAC name of 5-[(E)-pent-1-enyl]morpholin-3-one (CID 178010773) is 5-[(E)-pent-1-enyl]morpholin-3-one.
What is the SMILES notation for 5-[(E)-pent-1-enyl]morpholin-3-one?
The canonical SMILES for 5-[(E)-pent-1-enyl]morpholin-3-one is CCC/C=C/C1COCC(=O)N1.
What is the InChIKey of 5-[(E)-pent-1-enyl]morpholin-3-one?
The InChIKey is AFYUHFNSIYOIIL-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-4-5-8-6-12-7-9(11)10-8/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)/b5-4+.
What are the key properties of 5-[(E)-pent-1-enyl]morpholin-3-one?
5-[(E)-pent-1-enyl]morpholin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-1-enyl]morpholin-3-one is sourced from PubChem (CID 178010773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).