2-morpholin-4-ylethyl but-3-enoate

C10H17NO3 — CID 163582404

IUPAC2-morpholin-4-ylethyl but-3-enoate
SMILESC=CCC(=O)OCCN1CCOCC1
InChIInChI=1S/C10H17NO3/c1-2-3-10(12)14-9-6-11-4-7-13-8-5-11/h2H,1,3-9H2
InChIKeyGIQVLWOWXDSGPE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.44
Rot. Bonds5

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

2-morpholin-4-ylethyl but-3-enoate (PubChem CID 163582404) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl but-3-enoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl but-3-enoate
PubChem CID163582404
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-morpholin-4-ylethyl but-3-enoate
SMILESC=CCC(=O)OCCN1CCOCC1
InChIInChI=1S/C10H17NO3/c1-2-3-10(12)14-9-6-11-4-7-13-8-5-11/h2H,1,3-9H2
InChIKeyGIQVLWOWXDSGPE-UHFFFAOYSA-N
XLogP0.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454
2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate
CID 166930136
1-(2-morpholin-4-ylethoxy)ethenamine
CID 89172266
2-morpholin-4-ylethyl (Z)-hept-5-enoate
CID 143867024
2-morpholin-4-ylethyl octanoate
CID 23118480
2-[16-[2-(4,4-dimethylpentanoyloxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl 4,4-dimethylpentanoate
CID 102070429
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
(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
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl but-3-enoate?
The IUPAC name of 2-morpholin-4-ylethyl but-3-enoate (CID 163582404) is 2-morpholin-4-ylethyl but-3-enoate.
What is the SMILES notation for 2-morpholin-4-ylethyl but-3-enoate?
The canonical SMILES for 2-morpholin-4-ylethyl but-3-enoate is C=CCC(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl but-3-enoate?
The InChIKey is GIQVLWOWXDSGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-10(12)14-9-6-11-4-7-13-8-5-11/h2H,1,3-9H2.
What are the key properties of 2-morpholin-4-ylethyl but-3-enoate?
2-morpholin-4-ylethyl but-3-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.44, 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 but-3-enoate is sourced from PubChem (CID 163582404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).