5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione

C18H18ClN3O5 — CID 44770169

IUPAC5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)N1
InChIInChI=1S/C18H18ClN3O5/c19-10-1-2-14-11(7-10)13(23)9-18(27-14)3-5-22(6-4-18)15(24)8-12-16(25)21-17(26)20-12/h1-2,7,12H,3-6,8-9H2,(H2,20,21,25,26)
InChIKeyCWVSTPCYNCGCOJ-UHFFFAOYSA-N
MW391.81 g/mol
LogP1.26
Rot. Bonds2

About 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione

5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 44770169) has the molecular formula C18H18ClN3O5 and a molecular weight of 391.81 g/mol. Its IUPAC name is 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID44770169
Molecular FormulaC18H18ClN3O5
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC Name5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)N1
InChIInChI=1S/C18H18ClN3O5/c19-10-1-2-14-11(7-10)13(23)9-18(27-14)3-5-22(6-4-18)15(24)8-12-16(25)21-17(26)20-12/h1-2,7,12H,3-6,8-9H2,(H2,20,21,25,26)
InChIKeyCWVSTPCYNCGCOJ-UHFFFAOYSA-N
XLogP1.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 44770169) is 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)N1.
What is the InChIKey of 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is CWVSTPCYNCGCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5/c19-10-1-2-14-11(7-10)13(23)9-18(27-14)3-5-22(6-4-18)15(24)8-12-16(25)21-17(26)20-12/h1-2,7,12H,3-6,8-9H2,(H2,20,21,25,26).
What are the key properties of 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 391.81 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 44770169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).