2-morpholin-4-ylethyl 2-iodobut-3-enoate

C10H16INO3 — CID 162508454

IUPAC2-morpholin-4-ylethyl 2-iodobut-3-enoate
SMILESC=CC(I)C(=O)OCCN1CCOCC1
InChIInChI=1S/C10H16INO3/c1-2-9(11)10(13)15-8-5-12-3-6-14-7-4-12/h2,9H,1,3-8H2
InChIKeyYZTNPPNEQKKSDU-UHFFFAOYSA-N
MW325.15 g/mol
LogP0.85
Rot. Bonds5

About 2-morpholin-4-ylethyl 2-iodobut-3-enoate

2-morpholin-4-ylethyl 2-iodobut-3-enoate (PubChem CID 162508454) has the molecular formula C10H16INO3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-iodobut-3-enoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-iodobut-3-enoate
PubChem CID162508454
Molecular FormulaC10H16INO3
Molecular Weight325.15 g/mol
Exact Mass325.02
IUPAC Name2-morpholin-4-ylethyl 2-iodobut-3-enoate
SMILESC=CC(I)C(=O)OCCN1CCOCC1
InChIInChI=1S/C10H16INO3/c1-2-9(11)10(13)15-8-5-12-3-6-14-7-4-12/h2,9H,1,3-8H2
InChIKeyYZTNPPNEQKKSDU-UHFFFAOYSA-N
XLogP0.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl but-3-enoate
CID 163582404
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
1-(2-morpholin-4-ylethoxy)ethenamine
CID 89172266
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
(2Z)-3-(2-morpholin-4-ylethoxy)penta-2,4-dien-2-ol
CID 155441773
bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate
CID 57309456

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-iodobut-3-enoate?
The IUPAC name of 2-morpholin-4-ylethyl 2-iodobut-3-enoate (CID 162508454) is 2-morpholin-4-ylethyl 2-iodobut-3-enoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-iodobut-3-enoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-iodobut-3-enoate is C=CC(I)C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-iodobut-3-enoate?
The InChIKey is YZTNPPNEQKKSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO3/c1-2-9(11)10(13)15-8-5-12-3-6-14-7-4-12/h2,9H,1,3-8H2.
What are the key properties of 2-morpholin-4-ylethyl 2-iodobut-3-enoate?
2-morpholin-4-ylethyl 2-iodobut-3-enoate has a molecular weight of 325.15 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-iodobut-3-enoate is sourced from PubChem (CID 162508454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).