(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

C23H27N3O5 — CID 143510126

IUPAC(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
SMILESC/C=C\C.C=CC[C@]1(CN2Cc3cc(OCC#CCO)ccc3C2=O)NC(=O)NC1=O
InChIInChI=1S/C19H19N3O5.C4H8/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;1-3-4-2/h2,5-6,10,23H,1,7-9,11-12H2,(H2,20,21,25,26);3-4H,1-2H3/b;4-3-/t19-;/m1./s1
InChIKeyRJQOUZSNYQQSDB-XCUVADDPSA-N
MW425.49 g/mol
LogP1.75
Rot. Bonds6

About (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

(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 (PubChem CID 143510126) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID143510126
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name(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
SMILESC/C=C\C.C=CC[C@]1(CN2Cc3cc(OCC#CCO)ccc3C2=O)NC(=O)NC1=O
InChIInChI=1S/C19H19N3O5.C4H8/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;1-3-4-2/h2,5-6,10,23H,1,7-9,11-12H2,(H2,20,21,25,26);3-4H,1-2H3/b;4-3-/t19-;/m1./s1
InChIKeyRJQOUZSNYQQSDB-XCUVADDPSA-N
XLogP1.75
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.75
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'}

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C=C\C.C=CC[C@]1(CN2Cc3cc(OCC#CCO)ccc3C2=O)NC(=O)NC1=O.
What is the InChIKey of (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?
The InChIKey is RJQOUZSNYQQSDB-XCUVADDPSA-N. The full InChI is InChI=1S/C19H19N3O5.C4H8/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;1-3-4-2/h2,5-6,10,23H,1,7-9,11-12H2,(H2,20,21,25,26);3-4H,1-2H3/b;4-3-/t19-;/m1./s1.
What are the key properties of (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?
(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 has a molecular weight of 425.49 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 143510126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).