2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid

C11H17NO3 — CID 69340391

IUPAC2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid
SMILESC=CC(C=C(C)C(=O)O)N1CCOCC1
InChIInChI=1S/C11H17NO3/c1-3-10(8-9(2)11(13)14)12-4-6-15-7-5-12/h3,8,10H,1,4-7H2,2H3,(H,13,14)
InChIKeyAMWSGTUZXNLGMN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.90
Rot. Bonds4

About 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid

2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid (PubChem CID 69340391) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid
PubChem CID69340391
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid
SMILESC=CC(C=C(C)C(=O)O)N1CCOCC1
InChIInChI=1S/C11H17NO3/c1-3-10(8-9(2)11(13)14)12-4-6-15-7-5-12/h3,8,10H,1,4-7H2,2H3,(H,13,14)
InChIKeyAMWSGTUZXNLGMN-UHFFFAOYSA-N
XLogP0.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
(E)-2-methyl-3-morpholin-4-ylbut-2-enoic acid
CID 66776820
1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate
CID 174570141
2-hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 24899376
3-methyl-2-morpholin-4-ylbutanoic acid
CID 43104020
2-methyl-3-morpholin-4-ylprop-2-enoic acid;2-methylprop-2-enoic acid;morpholine
CID 158430166
2-dimethylphosphoryloxy-1-(1-morpholin-4-ylprop-2-enylsulfonyl)-2-phenylethanone
CID 174508968
N-(1-morpholin-4-ylethyl)acetamide
CID 20786322
(E)-2-methyl-4,4-bis(oxolan-3-yl)but-2-enoic acid
CID 69040622
4-hex-1-en-3-ylmorpholine
CID 11263737
3,3-dimethyl-4-morpholin-4-ylpentan-2-one
CID 13398806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid?
The IUPAC name of 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid (CID 69340391) is 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid.
What is the SMILES notation for 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid?
The canonical SMILES for 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid is C=CC(C=C(C)C(=O)O)N1CCOCC1.
What is the InChIKey of 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid?
The InChIKey is AMWSGTUZXNLGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-10(8-9(2)11(13)14)12-4-6-15-7-5-12/h3,8,10H,1,4-7H2,2H3,(H,13,14).
What are the key properties of 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid?
2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid is sourced from PubChem (CID 69340391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).