methyl 2-formyl-3-morpholin-4-ylbut-3-enoate

C10H15NO4 — CID 134987414

IUPACmethyl 2-formyl-3-morpholin-4-ylbut-3-enoate
SMILESC=C(C(C=O)C(=O)OC)N1CCOCC1
InChIInChI=1S/C10H15NO4/c1-8(9(7-12)10(13)14-2)11-3-5-15-6-4-11/h7,9H,1,3-6H2,2H3
InChIKeyLPGQUMKQXJTONO-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.18
Rot. Bonds4

About methyl 2-formyl-3-morpholin-4-ylbut-3-enoate

methyl 2-formyl-3-morpholin-4-ylbut-3-enoate (PubChem CID 134987414) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 2-formyl-3-morpholin-4-ylbut-3-enoate.

Molecular Properties

Compound Namemethyl 2-formyl-3-morpholin-4-ylbut-3-enoate
PubChem CID134987414
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 2-formyl-3-morpholin-4-ylbut-3-enoate
SMILESC=C(C(C=O)C(=O)OC)N1CCOCC1
InChIInChI=1S/C10H15NO4/c1-8(9(7-12)10(13)14-2)11-3-5-15-6-4-11/h7,9H,1,3-6H2,2H3
InChIKeyLPGQUMKQXJTONO-UHFFFAOYSA-N
XLogP-0.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 2-formyl-3-morpholin-4-ylbut-3-enoate 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

methyl morpholine-4-carboxylate
CID 12575354
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
CID 940643
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]but-3-enoate
CID 114242559
(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid
CID 144653695
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
4-O-[2-[[(2E)-4-methoxypenta-2,4-dienoyl]oxymethyl]-3-morpholin-4-ylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 126554489
2-hydroxybutyl morpholine-4-carboxylate;methane
CID 158189157
2-(methoxyamino)-1-morpholin-4-ylethanone
CID 60702997
methyl 2-bromo-3-[(3-morpholin-4-yl-3-oxopropyl)amino]propanoate
CID 103263000
2-(4-methoxybutylamino)-1-morpholin-4-ylethanone
CID 60975832
methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
CID 101419276

Frequently Asked Questions

What is the IUPAC name of methyl 2-formyl-3-morpholin-4-ylbut-3-enoate?
The IUPAC name of methyl 2-formyl-3-morpholin-4-ylbut-3-enoate (CID 134987414) is methyl 2-formyl-3-morpholin-4-ylbut-3-enoate.
What is the SMILES notation for methyl 2-formyl-3-morpholin-4-ylbut-3-enoate?
The canonical SMILES for methyl 2-formyl-3-morpholin-4-ylbut-3-enoate is C=C(C(C=O)C(=O)OC)N1CCOCC1.
What is the InChIKey of methyl 2-formyl-3-morpholin-4-ylbut-3-enoate?
The InChIKey is LPGQUMKQXJTONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-8(9(7-12)10(13)14-2)11-3-5-15-6-4-11/h7,9H,1,3-6H2,2H3.
What are the key properties of methyl 2-formyl-3-morpholin-4-ylbut-3-enoate?
methyl 2-formyl-3-morpholin-4-ylbut-3-enoate has a molecular weight of 213.23 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formyl-3-morpholin-4-ylbut-3-enoate is sourced from PubChem (CID 134987414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).