methyl 2-morpholin-4-ylpenta-2,4-dienoate

C10H15NO3 — CID 73187882

IUPACmethyl 2-morpholin-4-ylpenta-2,4-dienoate
SMILESC=CC=C(C(=O)OC)N1CCOCC1
InChIInChI=1S/C10H15NO3/c1-3-4-9(10(12)13-2)11-5-7-14-8-6-11/h3-4H,1,5-8H2,2H3
InChIKeyBIVPFNSBAFHHQM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.56
Rot. Bonds3

About methyl 2-morpholin-4-ylpenta-2,4-dienoate

methyl 2-morpholin-4-ylpenta-2,4-dienoate (PubChem CID 73187882) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 2-morpholin-4-ylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-ylpenta-2,4-dienoate
PubChem CID73187882
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 2-morpholin-4-ylpenta-2,4-dienoate
SMILESC=CC=C(C(=O)OC)N1CCOCC1
InChIInChI=1S/C10H15NO3/c1-3-4-9(10(12)13-2)11-5-7-14-8-6-11/h3-4H,1,5-8H2,2H3
InChIKeyBIVPFNSBAFHHQM-UHFFFAOYSA-N
XLogP0.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Morpholin-4-yl-but-2-enoic acid ethyl ester
CID 2303302
3-morpholin-4-yl-2H-furan-5-one
CID 11321197
Ethyl 3-(morpholin-4-yl)but-2-enoate
CID 2303301
Ethyl 3-morpholin-4-ylbut-2-enoate
CID 580979
dimethyl (E)-2-morpholin-4-ylbut-2-enedioate
CID 13086511
Piperidinopyrone
CID 129806684
Morpholino-pyrone
CID 129808139
methyl 1-(2,2,2-trifluoroethyl)-2H-pyridine-6-carboxylate
CID 135228183
2-Butenoic acid, 4-(morpholin-4-yl)-, methyl ester
CID 5374223
Methyl (z)-2-(piperidin-1-yl)penta-2,4-dienoate
CID 129771435
Ethyl 1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate
CID 12286527
methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate
CID 12815344

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-ylpenta-2,4-dienoate?
The IUPAC name of methyl 2-morpholin-4-ylpenta-2,4-dienoate (CID 73187882) is methyl 2-morpholin-4-ylpenta-2,4-dienoate.
What is the SMILES notation for methyl 2-morpholin-4-ylpenta-2,4-dienoate?
The canonical SMILES for methyl 2-morpholin-4-ylpenta-2,4-dienoate is C=CC=C(C(=O)OC)N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-ylpenta-2,4-dienoate?
The InChIKey is BIVPFNSBAFHHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-9(10(12)13-2)11-5-7-14-8-6-11/h3-4H,1,5-8H2,2H3.
What are the key properties of methyl 2-morpholin-4-ylpenta-2,4-dienoate?
methyl 2-morpholin-4-ylpenta-2,4-dienoate has a molecular weight of 197.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-ylpenta-2,4-dienoate is sourced from PubChem (CID 73187882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).