(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione

C19H19N3O5 — CID 143510127

IUPAC(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione
SMILESC=CC[C@]1(CN2Cc3cc(OCC#CCO)ccc3C2=O)NC(=O)NC1=O
InChIInChI=1S/C19H19N3O5/c1-2-7-19(17(25)20-18(26)21-19)12-22-11-13-10-14(27-9-4-3-8-23)5-6-15(13)16(22)24/h2,5-6,10,23H,1,7-9,11-12H2,(H2,20,21,25,26)/t19-/m1/s1
InChIKeyLKMKSRJCTFCBSG-LJQANCHMSA-N
MW369.38 g/mol
LogP0.17
Rot. Bonds6

About (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione

(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione (PubChem CID 143510127) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione
PubChem CID143510127
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione
SMILESC=CC[C@]1(CN2Cc3cc(OCC#CCO)ccc3C2=O)NC(=O)NC1=O
InChIInChI=1S/C19H19N3O5/c1-2-7-19(17(25)20-18(26)21-19)12-22-11-13-10-14(27-9-4-3-8-23)5-6-15(13)16(22)24/h2,5-6,10,23H,1,7-9,11-12H2,(H2,20,21,25,26)/t19-/m1/s1
InChIKeyLKMKSRJCTFCBSG-LJQANCHMSA-N
XLogP0.17
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-ene;(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione
CID 143510126
(5R)-5-(4-bromophenyl)-5-[[6-(4-methylidenehex-5-en-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 143183812
5-ethyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75224389
N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide
CID 89344425
(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 11717287
(5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione
CID 71176605
tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 158385791
5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 70328628
(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91078725
2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-pentylacetamide
CID 126748370
N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 143512816
5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-[[6-(3,3-dimethylbutoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[[3-oxo-6-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 158996120

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione (CID 143510127) is (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione is C=CC[C@]1(CN2Cc3cc(OCC#CCO)ccc3C2=O)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is LKMKSRJCTFCBSG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-2-7-19(17(25)20-18(26)21-19)12-22-11-13-10-14(27-9-4-3-8-23)5-6-15(13)16(22)24/h2,5-6,10,23H,1,7-9,11-12H2,(H2,20,21,25,26)/t19-/m1/s1.
What are the key properties of (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione?
(5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 369.38 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[6-(4-hydroxybut-2-ynoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 143510127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).