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

C7H11NO2 — CID 178009895

IUPAC5-[(E)-prop-1-enyl]morpholin-3-one
SMILESC/C=C/C1COCC(=O)N1
InChIInChI=1S/C7H11NO2/c1-2-3-6-4-10-5-7(9)8-6/h2-3,6H,4-5H2,1H3,(H,8,9)/b3-2+
InChIKeyQDRSFRCGKITBSZ-NSCUHMNNSA-N
MW141.17 g/mol
LogP0.08
Rot. Bonds1

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

5-[(E)-prop-1-enyl]morpholin-3-one (PubChem CID 178009895) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]morpholin-3-one.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]morpholin-3-one
PubChem CID178009895
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-[(E)-prop-1-enyl]morpholin-3-one
SMILESC/C=C/C1COCC(=O)N1
InChIInChI=1S/C7H11NO2/c1-2-3-6-4-10-5-7(9)8-6/h2-3,6H,4-5H2,1H3,(H,8,9)/b3-2+
InChIKeyQDRSFRCGKITBSZ-NSCUHMNNSA-N
XLogP0.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 170184358
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CID 178009894
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CID 178010773
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CID 103750096
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CID 115692106
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CID 115692176
CID 115692176

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]morpholin-3-one?
The IUPAC name of 5-[(E)-prop-1-enyl]morpholin-3-one (CID 178009895) is 5-[(E)-prop-1-enyl]morpholin-3-one.
What is the SMILES notation for 5-[(E)-prop-1-enyl]morpholin-3-one?
The canonical SMILES for 5-[(E)-prop-1-enyl]morpholin-3-one is C/C=C/C1COCC(=O)N1.
What is the InChIKey of 5-[(E)-prop-1-enyl]morpholin-3-one?
The InChIKey is QDRSFRCGKITBSZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-6-4-10-5-7(9)8-6/h2-3,6H,4-5H2,1H3,(H,8,9)/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]morpholin-3-one?
5-[(E)-prop-1-enyl]morpholin-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]morpholin-3-one is sourced from PubChem (CID 178009895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).