6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C17H21ClN2O3 — CID 19845296

IUPAC6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCCCCCC1CC2(NC(=O)NC2=O)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H21ClN2O3/c1-2-3-4-5-6-12-10-17(15(21)19-16(22)20-17)13-9-11(18)7-8-14(13)23-12/h7-9,12H,2-6,10H2,1H3,(H2,19,20,21,22)
InChIKeyDBGPSDXHZRLDCC-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.50
Rot. Bonds5

About 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 19845296) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID19845296
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCCCCCC1CC2(NC(=O)NC2=O)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H21ClN2O3/c1-2-3-4-5-6-12-10-17(15(21)19-16(22)20-17)13-9-11(18)7-8-14(13)23-12/h7-9,12H,2-6,10H2,1H3,(H2,19,20,21,22)
InChIKeyDBGPSDXHZRLDCC-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 19845296) is 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is CCCCCCC1CC2(NC(=O)NC2=O)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is DBGPSDXHZRLDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-2-3-4-5-6-12-10-17(15(21)19-16(22)20-17)13-9-11(18)7-8-14(13)23-12/h7-9,12H,2-6,10H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 336.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 19845296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).