4-[(E)-4-oxopent-2-enyl]morpholin-3-one

C9H13NO3 — CID 118400708

IUPAC4-[(E)-4-oxopent-2-enyl]morpholin-3-one
SMILESCC(=O)/C=C/CN1CCOCC1=O
InChIInChI=1S/C9H13NO3/c1-8(11)3-2-4-10-5-6-13-7-9(10)12/h2-3H,4-7H2,1H3/b3-2+
InChIKeyFMFNMEIUORAXBY-NSCUHMNNSA-N
MW183.21 g/mol
LogP-0.01
Rot. Bonds3

About 4-[(E)-4-oxopent-2-enyl]morpholin-3-one

4-[(E)-4-oxopent-2-enyl]morpholin-3-one (PubChem CID 118400708) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[(E)-4-oxopent-2-enyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(E)-4-oxopent-2-enyl]morpholin-3-one
PubChem CID118400708
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-[(E)-4-oxopent-2-enyl]morpholin-3-one
SMILESCC(=O)/C=C/CN1CCOCC1=O
InChIInChI=1S/C9H13NO3/c1-8(11)3-2-4-10-5-6-13-7-9(10)12/h2-3H,4-7H2,1H3/b3-2+
InChIKeyFMFNMEIUORAXBY-NSCUHMNNSA-N
XLogP-0.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-oxopent-2-enyl]morpholin-3-one?
The IUPAC name of 4-[(E)-4-oxopent-2-enyl]morpholin-3-one (CID 118400708) is 4-[(E)-4-oxopent-2-enyl]morpholin-3-one.
What is the SMILES notation for 4-[(E)-4-oxopent-2-enyl]morpholin-3-one?
The canonical SMILES for 4-[(E)-4-oxopent-2-enyl]morpholin-3-one is CC(=O)/C=C/CN1CCOCC1=O.
What is the InChIKey of 4-[(E)-4-oxopent-2-enyl]morpholin-3-one?
The InChIKey is FMFNMEIUORAXBY-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H13NO3/c1-8(11)3-2-4-10-5-6-13-7-9(10)12/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-4-oxopent-2-enyl]morpholin-3-one?
4-[(E)-4-oxopent-2-enyl]morpholin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-oxopent-2-enyl]morpholin-3-one is sourced from PubChem (CID 118400708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).