(Z)-2-morpholin-4-ylbut-2-enal

C8H13NO2 — CID 11367132

IUPAC(Z)-2-morpholin-4-ylbut-2-enal
SMILESC/C=C(/C=O)N1CCOCC1
InChIInChI=1S/C8H13NO2/c1-2-8(7-10)9-3-5-11-6-4-9/h2,7H,3-6H2,1H3/b8-2-
InChIKeyGEPUCAJYRPDMSI-WAPJZHGLSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds2

About (Z)-2-morpholin-4-ylbut-2-enal

(Z)-2-morpholin-4-ylbut-2-enal (PubChem CID 11367132) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (Z)-2-morpholin-4-ylbut-2-enal.

Molecular Properties

Compound Name(Z)-2-morpholin-4-ylbut-2-enal
PubChem CID11367132
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(Z)-2-morpholin-4-ylbut-2-enal
SMILESC/C=C(/C=O)N1CCOCC1
InChIInChI=1S/C8H13NO2/c1-2-8(7-10)9-3-5-11-6-4-9/h2,7H,3-6H2,1H3/b8-2-
InChIKeyGEPUCAJYRPDMSI-WAPJZHGLSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-morpholin-4-ylbut-2-enal 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

4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 142175589
4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
CID 155748079
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
2-morpholin-4-ylbut-2-enoic acid;hydrochloride
CID 174202457
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
4-[(Z)-1-methylsulfanylprop-1-enyl]morpholine
CID 134923737

Frequently Asked Questions

What is the IUPAC name of (Z)-2-morpholin-4-ylbut-2-enal?
The IUPAC name of (Z)-2-morpholin-4-ylbut-2-enal (CID 11367132) is (Z)-2-morpholin-4-ylbut-2-enal.
What is the SMILES notation for (Z)-2-morpholin-4-ylbut-2-enal?
The canonical SMILES for (Z)-2-morpholin-4-ylbut-2-enal is C/C=C(/C=O)N1CCOCC1.
What is the InChIKey of (Z)-2-morpholin-4-ylbut-2-enal?
The InChIKey is GEPUCAJYRPDMSI-WAPJZHGLSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-8(7-10)9-3-5-11-6-4-9/h2,7H,3-6H2,1H3/b8-2-.
What are the key properties of (Z)-2-morpholin-4-ylbut-2-enal?
(Z)-2-morpholin-4-ylbut-2-enal has a molecular weight of 155.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-morpholin-4-ylbut-2-enal is sourced from PubChem (CID 11367132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).