(2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one

C11H18N2O3 — CID 59079558

IUPAC(2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one
SMILESCN[C@H](/C=C/C(C)=O)C[C@@H]1OCCNC1=O
InChIInChI=1S/C11H18N2O3/c1-8(14)3-4-9(12-2)7-10-11(15)13-5-6-16-10/h3-4,9-10,12H,5-7H2,1-2H3,(H,13,15)/b4-3+/t9-,10+/m1/s1
InChIKeyJNMCKEREBJLZBP-OKWQPMOJSA-N
MW226.28 g/mol
LogP-0.38
Rot. Bonds5

About (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one

(2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one (PubChem CID 59079558) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one.

Molecular Properties

Compound Name(2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one
PubChem CID59079558
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one
SMILESCN[C@H](/C=C/C(C)=O)C[C@@H]1OCCNC1=O
InChIInChI=1S/C11H18N2O3/c1-8(14)3-4-9(12-2)7-10-11(15)13-5-6-16-10/h3-4,9-10,12H,5-7H2,1-2H3,(H,13,15)/b4-3+/t9-,10+/m1/s1
InChIKeyJNMCKEREBJLZBP-OKWQPMOJSA-N
XLogP-0.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexenone, 4R-acetamido-5cis,6trans-dimethoxy-
CID 558111
CID 23594716
CID 23594716
CID 58593515
CID 58593515
(2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one
CID 58593540
CID 58607752
CID 58607752
CID 58607754
CID 58607754
(E)-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
CID 156518243
2-[(E)-2-(methylamino)pent-3-enyl]morpholin-3-one
CID 23594719
N-cyclopent-3-en-1-yl-2-piperidin-4-yloxyacetamide
CID 116112739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one?
The IUPAC name of (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one (CID 59079558) is (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one.
What is the SMILES notation for (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one?
The canonical SMILES for (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one is CN[C@H](/C=C/C(C)=O)C[C@@H]1OCCNC1=O.
What is the InChIKey of (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one?
The InChIKey is JNMCKEREBJLZBP-OKWQPMOJSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(14)3-4-9(12-2)7-10-11(15)13-5-6-16-10/h3-4,9-10,12H,5-7H2,1-2H3,(H,13,15)/b4-3+/t9-,10+/m1/s1.
What are the key properties of (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one?
(2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one has a molecular weight of 226.28 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one is sourced from PubChem (CID 59079558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).