2-morpholin-4-ylethyl (Z)-hept-5-enoate

C13H23NO3 — CID 143867024

IUPAC2-morpholin-4-ylethyl (Z)-hept-5-enoate
SMILESC/C=C\CCCC(=O)OCCN1CCOCC1
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-13(15)17-12-9-14-7-10-16-11-8-14/h2-3H,4-12H2,1H3/b3-2-
InChIKeyUEUPMBURIAGYTK-IHWYPQMZSA-N
MW241.33 g/mol
LogP1.61
Rot. Bonds7

About 2-morpholin-4-ylethyl (Z)-hept-5-enoate

2-morpholin-4-ylethyl (Z)-hept-5-enoate (PubChem CID 143867024) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl (Z)-hept-5-enoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl (Z)-hept-5-enoate
PubChem CID143867024
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-morpholin-4-ylethyl (Z)-hept-5-enoate
SMILESC/C=C\CCCC(=O)OCCN1CCOCC1
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-13(15)17-12-9-14-7-10-16-11-8-14/h2-3H,4-12H2,1H3/b3-2-
InChIKeyUEUPMBURIAGYTK-IHWYPQMZSA-N
XLogP1.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-[(Z)-pent-3-enyl]morpholine
CID 142132381
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-morpholin-4-ylethyl but-3-enoate
CID 163582404
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
[2-(5-morpholin-4-ylpentanoyloxymethyl)-3-[(Z)-tetradec-9-enoyl]oxy-2-[[(Z)-tetradec-9-enoyl]oxymethyl]propyl] (Z)-tetradec-9-enoate
CID 172948371
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
[2-(3-morpholin-4-ylpropanoyloxymethyl)-3-[(Z)-octadec-9-enoyl]oxy-2-[[(Z)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate
CID 170917033
2-piperidin-1-ylethyl (Z)-octadec-9-enoate
CID 90811222

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl (Z)-hept-5-enoate?
The IUPAC name of 2-morpholin-4-ylethyl (Z)-hept-5-enoate (CID 143867024) is 2-morpholin-4-ylethyl (Z)-hept-5-enoate.
What is the SMILES notation for 2-morpholin-4-ylethyl (Z)-hept-5-enoate?
The canonical SMILES for 2-morpholin-4-ylethyl (Z)-hept-5-enoate is C/C=C\CCCC(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl (Z)-hept-5-enoate?
The InChIKey is UEUPMBURIAGYTK-IHWYPQMZSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-5-6-13(15)17-12-9-14-7-10-16-11-8-14/h2-3H,4-12H2,1H3/b3-2-.
What are the key properties of 2-morpholin-4-ylethyl (Z)-hept-5-enoate?
2-morpholin-4-ylethyl (Z)-hept-5-enoate has a molecular weight of 241.33 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl (Z)-hept-5-enoate is sourced from PubChem (CID 143867024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).