6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one

C12H14N2O3 — CID 70585209

IUPAC6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
SMILESCOc1ccc2c(c1)C1(CCO2)NCNC1=O
InChIInChI=1S/C12H14N2O3/c1-16-8-2-3-10-9(6-8)12(4-5-17-10)11(15)13-7-14-12/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyIBQHWRRFPAUANN-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.35
Rot. Bonds1

About 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one

6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one (PubChem CID 70585209) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
PubChem CID70585209
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
SMILESCOc1ccc2c(c1)C1(CCO2)NCNC1=O
InChIInChI=1S/C12H14N2O3/c1-16-8-2-3-10-9(6-8)12(4-5-17-10)11(15)13-7-14-12/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyIBQHWRRFPAUANN-UHFFFAOYSA-N
XLogP0.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one (CID 70585209) is 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one is COc1ccc2c(c1)C1(CCO2)NCNC1=O.
What is the InChIKey of 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The InChIKey is IBQHWRRFPAUANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-8-2-3-10-9(6-8)12(4-5-17-10)11(15)13-7-14-12/h2-3,6,14H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one has a molecular weight of 234.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 70585209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).