(E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one

C8H13NO2 — CID 118121180

IUPAC(E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one
SMILESCC(=O)/C=C/[C@@H]1COCCN1
InChIInChI=1S/C8H13NO2/c1-7(10)2-3-8-6-11-5-4-9-8/h2-3,8-9H,4-6H2,1H3/b3-2+/t8-/m1/s1
InChIKeyDAHIDKXKUBDHAQ-UFUPEUMYSA-N
MW155.20 g/mol
LogP0.12
Rot. Bonds2

About (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one

(E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one (PubChem CID 118121180) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one
PubChem CID118121180
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one
SMILESCC(=O)/C=C/[C@@H]1COCCN1
InChIInChI=1S/C8H13NO2/c1-7(10)2-3-8-6-11-5-4-9-8/h2-3,8-9H,4-6H2,1H3/b3-2+/t8-/m1/s1
InChIKeyDAHIDKXKUBDHAQ-UFUPEUMYSA-N
XLogP0.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-morpholin-4-ylpent-3-en-2-one
CID 14765506
5-Morpholin-4-ylpent-3-en-2-one
CID 85845536
N-methyl-4-morpholin-4-ylpent-2-enamide
CID 90151447
(E)-5-(2-methoxyethylamino)pent-3-en-2-one
CID 135183509
(Z)-3-morpholin-3-ylprop-2-enamide
CID 137535256
(E)-3-morpholin-3-ylprop-2-enamide
CID 137535257
(Z)-N-methyl-3-morpholin-3-ylprop-2-enamide
CID 137535258
methyl (E)-3-morpholin-3-ylprop-2-enoate
CID 139341875
ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one
CID 142388398
3-Methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one
CID 143182657
3-[(Z)-but-1-enyl]morpholine;ethane;propane
CID 144566525
ethane;3-[(Z)-prop-1-enyl]morpholine
CID 144566527

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one?
The IUPAC name of (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one (CID 118121180) is (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one?
The canonical SMILES for (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one is CC(=O)/C=C/[C@@H]1COCCN1.
What is the InChIKey of (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one?
The InChIKey is DAHIDKXKUBDHAQ-UFUPEUMYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(10)2-3-8-6-11-5-4-9-8/h2-3,8-9H,4-6H2,1H3/b3-2+/t8-/m1/s1.
What are the key properties of (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one?
(E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one is sourced from PubChem (CID 118121180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).