2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate

C18H32N2O3 — CID 72574945

IUPAC2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate
SMILESCCC=CCC(=O)OCCN1CCN(CCO)C1CC=CCC
InChIInChI=1S/C18H32N2O3/c1-3-5-7-9-17-19(13-15-21)11-12-20(17)14-16-23-18(22)10-8-6-4-2/h5-8,17,21H,3-4,9-16H2,1-2H3
InChIKeyAPXMWZCKAQESII-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.18
Rot. Bonds11

About 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate

2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate (PubChem CID 72574945) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate
PubChem CID72574945
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate
SMILESCCC=CCC(=O)OCCN1CCN(CCO)C1CC=CCC
InChIInChI=1S/C18H32N2O3/c1-3-5-7-9-17-19(13-15-21)11-12-20(17)14-16-23-18(22)10-8-6-4-2/h5-8,17,21H,3-4,9-16H2,1-2H3
InChIKeyAPXMWZCKAQESII-UHFFFAOYSA-N
XLogP2.18
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108
2-cyclopropylethyl hex-3-enoate
CID 67151330
2-[3-(2-hydroxyethyl)-2-[(Z)-octadec-9-enoyl]imidazolidin-1-yl]ethyl (Z)-octadec-9-enoate;hydrochloride
CID 175081948
ethyl (3Z,6Z)-nona-3,6-dienoate
CID 122667686
[(3E,5E)-hepta-3,5-dienyl] (Z)-hex-3-enoate
CID 134205628
[(6Z,9Z,12Z)-4-oxopentadeca-6,9,12-trienyl] (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 59915708
undec-10-enyl (E)-hex-3-enoate
CID 10801740
dec-9-enyl (E)-hex-3-enoate
CID 10706003
(E)-4-[2-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 118562744
pentan-3-yl (E)-hex-3-enoate
CID 20667360
2,3-di(propanoyloxy)propyl hex-3-enoate
CID 123578202
hex-2-enyl hex-3-enoate
CID 71346528

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate?
The IUPAC name of 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate (CID 72574945) is 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate is CCC=CCC(=O)OCCN1CCN(CCO)C1CC=CCC.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate?
The InChIKey is APXMWZCKAQESII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-3-5-7-9-17-19(13-15-21)11-12-20(17)14-16-23-18(22)10-8-6-4-2/h5-8,17,21H,3-4,9-16H2,1-2H3.
What are the key properties of 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate?
2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate has a molecular weight of 324.47 g/mol, XLogP of 2.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-2-pent-2-enylimidazolidin-1-yl]ethyl hex-3-enoate is sourced from PubChem (CID 72574945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).