(4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione

C16H18N2O5 — CID 66831836

IUPAC(4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)[C@]1(NC(=O)NC1=O)[C@@]1(C)OCCC[C@@H]1O2
InChIInChI=1S/C16H18N2O5/c1-15-12(4-3-7-22-15)23-11-6-5-9(21-2)8-10(11)16(15)13(19)17-14(20)18-16/h5-6,8,12H,3-4,7H2,1-2H3,(H2,17,18,19,20)/t12-,15-,16+/m0/s1
InChIKeyGOTDQWMAAPIOKV-VBNZEHGJSA-N
MW318.33 g/mol
LogP1.06
Rot. Bonds1

About (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione

(4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione (PubChem CID 66831836) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione
PubChem CID66831836
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name(4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)[C@]1(NC(=O)NC1=O)[C@@]1(C)OCCC[C@@H]1O2
InChIInChI=1S/C16H18N2O5/c1-15-12(4-3-7-22-15)23-11-6-5-9(21-2)8-10(11)16(15)13(19)17-14(20)18-16/h5-6,8,12H,3-4,7H2,1-2H3,(H2,17,18,19,20)/t12-,15-,16+/m0/s1
InChIKeyGOTDQWMAAPIOKV-VBNZEHGJSA-N
XLogP1.06
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione with MolForge

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Related Compounds

6-Phenoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 13953745
6-Methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 15572742
CID 88216908
CID 88216908
CID 68391889
CID 68391889
CID 89938796
CID 89938796
6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 12895311
6-Methoxy-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 13036737
6-Methoxy-2-methyl-3'-[3-(4-phenylpiperidin-1-yl)propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 13559189
3'-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 20212726
[1-[3-(6-methoxy-2,2-dimethyl-2',5'-dioxospiro[3H-chromene-4,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl] acetate
CID 20212752
6-methoxy-2,2-dimethyl-3'-[3-(4-phenylpiperidin-1-yl)propyl]spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 20212756
3'-[3-(4-Hydroxypiperidin-1-yl)propyl]-6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 20212759

Frequently Asked Questions

What is the IUPAC name of (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione (CID 66831836) is (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)[C@]1(NC(=O)NC1=O)[C@@]1(C)OCCC[C@@H]1O2.
What is the InChIKey of (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione?
The InChIKey is GOTDQWMAAPIOKV-VBNZEHGJSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-15-12(4-3-7-22-15)23-11-6-5-9(21-2)8-10(11)16(15)13(19)17-14(20)18-16/h5-6,8,12H,3-4,7H2,1-2H3,(H2,17,18,19,20)/t12-,15-,16+/m0/s1.
What are the key properties of (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione?
(4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione has a molecular weight of 318.33 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10S,10aR)-8-methoxy-10a-methylspiro[2,3,4,4a-tetrahydropyrano[3,2-b]chromene-10,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 66831836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).