ethane;(E)-4-morpholin-3-ylbut-3-en-2-one

C10H19NO2 — CID 177231205

IUPACethane;(E)-4-morpholin-3-ylbut-3-en-2-one
SMILESCC.CC(=O)/C=C/C1COCCN1
InChIInChI=1S/C8H13NO2.C2H6/c1-7(10)2-3-8-6-11-5-4-9-8;1-2/h2-3,8-9H,4-6H2,1H3;1-2H3/b3-2+;
InChIKeyDOVLBHVFOPIALC-SQQVDAMQSA-N
MW185.27 g/mol
LogP1.15
Rot. Bonds2

About ethane;(E)-4-morpholin-3-ylbut-3-en-2-one

ethane;(E)-4-morpholin-3-ylbut-3-en-2-one (PubChem CID 177231205) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;(E)-4-morpholin-3-ylbut-3-en-2-one.

Molecular Properties

Compound Nameethane;(E)-4-morpholin-3-ylbut-3-en-2-one
PubChem CID177231205
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethane;(E)-4-morpholin-3-ylbut-3-en-2-one
SMILESCC.CC(=O)/C=C/C1COCCN1
InChIInChI=1S/C8H13NO2.C2H6/c1-7(10)2-3-8-6-11-5-4-9-8;1-2/h2-3,8-9H,4-6H2,1H3;1-2H3/b3-2+;
InChIKeyDOVLBHVFOPIALC-SQQVDAMQSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-morpholin-4-ylpent-2-enamide
CID 90151447
(E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one
CID 118121180
(E)-6-(2-methoxyethylamino)hex-4-en-3-one
CID 135183495
(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
ethane;(E)-5-morpholin-4-ylpent-3-en-2-one
CID 144489395
3-[(Z)-but-1-enyl]morpholine;ethane;propane
CID 144566525

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-4-morpholin-3-ylbut-3-en-2-one?
The IUPAC name of ethane;(E)-4-morpholin-3-ylbut-3-en-2-one (CID 177231205) is ethane;(E)-4-morpholin-3-ylbut-3-en-2-one.
What is the SMILES notation for ethane;(E)-4-morpholin-3-ylbut-3-en-2-one?
The canonical SMILES for ethane;(E)-4-morpholin-3-ylbut-3-en-2-one is CC.CC(=O)/C=C/C1COCCN1.
What is the InChIKey of ethane;(E)-4-morpholin-3-ylbut-3-en-2-one?
The InChIKey is DOVLBHVFOPIALC-SQQVDAMQSA-N. The full InChI is InChI=1S/C8H13NO2.C2H6/c1-7(10)2-3-8-6-11-5-4-9-8;1-2/h2-3,8-9H,4-6H2,1H3;1-2H3/b3-2+;.
What are the key properties of ethane;(E)-4-morpholin-3-ylbut-3-en-2-one?
ethane;(E)-4-morpholin-3-ylbut-3-en-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-4-morpholin-3-ylbut-3-en-2-one is sourced from PubChem (CID 177231205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).