1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione

C18H18N2O4 — CID 7807325

IUPAC1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C18H18N2O4/c1-2-9-19-16(22)17(23)20(18(19)24)11-15(21)14-8-7-12-5-3-4-6-13(12)10-14/h2,7-8,10H,1,3-6,9,11H2
InChIKeyWGVXUBAUKKIBGH-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione

1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione (PubChem CID 7807325) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
PubChem CID7807325
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C18H18N2O4/c1-2-9-19-16(22)17(23)20(18(19)24)11-15(21)14-8-7-12-5-3-4-6-13(12)10-14/h2,7-8,10H,1,3-6,9,11H2
InChIKeyWGVXUBAUKKIBGH-UHFFFAOYSA-N
XLogP1.72
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione (CID 7807325) is 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione is C=CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O.
What is the InChIKey of 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione?
The InChIKey is WGVXUBAUKKIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-9-19-16(22)17(23)20(18(19)24)11-15(21)14-8-7-12-5-3-4-6-13(12)10-14/h2,7-8,10H,1,3-6,9,11H2.
What are the key properties of 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione?
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione has a molecular weight of 326.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-prop-2-enylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7807325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).