morpholin-4-yl 2-methylhexa-2,5-dienoate

C11H17NO3 — CID 67848695

IUPACmorpholin-4-yl 2-methylhexa-2,5-dienoate
SMILESC=CCC=C(C)C(=O)ON1CCOCC1
InChIInChI=1S/C11H17NO3/c1-3-4-5-10(2)11(13)15-12-6-8-14-9-7-12/h3,5H,1,4,6-9H2,2H3
InChIKeyLMBIIFVBRDJZBH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.30
Rot. Bonds4

About morpholin-4-yl 2-methylhexa-2,5-dienoate

morpholin-4-yl 2-methylhexa-2,5-dienoate (PubChem CID 67848695) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is morpholin-4-yl 2-methylhexa-2,5-dienoate.

Molecular Properties

Compound Namemorpholin-4-yl 2-methylhexa-2,5-dienoate
PubChem CID67848695
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemorpholin-4-yl 2-methylhexa-2,5-dienoate
SMILESC=CCC=C(C)C(=O)ON1CCOCC1
InChIInChI=1S/C11H17NO3/c1-3-4-5-10(2)11(13)15-12-6-8-14-9-7-12/h3,5H,1,4,6-9H2,2H3
InChIKeyLMBIIFVBRDJZBH-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpent-2-enoyl 2-methylhexa-2,5-dienoate
CID 173326603
2-hydroxyethyl 2-methylhexa-2,5-dienoate
CID 57086729
cyano 2-methylhexa-2,5-dienoate
CID 173149992
cyano (2E)-2-methylhexa-2,5-dienoate
CID 87743267
(5-hydroxy-2-methylpent-2-enoyl) 2-methylhexa-2,5-dienoate
CID 173366431
methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate
CID 83092824
[dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate
CID 173032273
methyl 2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoate
CID 77074133
2-(diethylamino)ethyl 2-methylhexa-2,5-dienoate
CID 173337637
(Z)-2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pent-2-enamide
CID 49016183
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 24899376
methyl 2-methylhepta-2,6-dienoate
CID 54478570

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl 2-methylhexa-2,5-dienoate?
The IUPAC name of morpholin-4-yl 2-methylhexa-2,5-dienoate (CID 67848695) is morpholin-4-yl 2-methylhexa-2,5-dienoate.
What is the SMILES notation for morpholin-4-yl 2-methylhexa-2,5-dienoate?
The canonical SMILES for morpholin-4-yl 2-methylhexa-2,5-dienoate is C=CCC=C(C)C(=O)ON1CCOCC1.
What is the InChIKey of morpholin-4-yl 2-methylhexa-2,5-dienoate?
The InChIKey is LMBIIFVBRDJZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-4-5-10(2)11(13)15-12-6-8-14-9-7-12/h3,5H,1,4,6-9H2,2H3.
What are the key properties of morpholin-4-yl 2-methylhexa-2,5-dienoate?
morpholin-4-yl 2-methylhexa-2,5-dienoate has a molecular weight of 211.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl 2-methylhexa-2,5-dienoate is sourced from PubChem (CID 67848695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).