ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate

C16H18N2O4 — CID 4812028

IUPACethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C16H18N2O4/c1-2-22-13(19)10-18-14(20)16(17-15(18)21)9-5-7-11-6-3-4-8-12(11)16/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,17,21)
InChIKeyWQHOGLZNGXGYLI-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.33
Rot. Bonds3

About ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate

ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate (PubChem CID 4812028) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate
PubChem CID4812028
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C16H18N2O4/c1-2-22-13(19)10-18-14(20)16(17-15(18)21)9-5-7-11-6-3-4-8-12(11)16/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,17,21)
InChIKeyWQHOGLZNGXGYLI-UHFFFAOYSA-N
XLogP1.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate?
The IUPAC name of ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate (CID 4812028) is ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate.
What is the SMILES notation for ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate?
The canonical SMILES for ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate is CCOC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.
What is the InChIKey of ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate?
The InChIKey is WQHOGLZNGXGYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-22-13(19)10-18-14(20)16(17-15(18)21)9-5-7-11-6-3-4-8-12(11)16/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,17,21).
What are the key properties of ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate?
ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate has a molecular weight of 302.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate is sourced from PubChem (CID 4812028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).