spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one

C15H18N2O2 — CID 66826019

IUPACspiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one
SMILESO=C1NC=NC12C1C=CC=CC1OC1CCCCC12
InChIInChI=1S/C15H18N2O2/c18-14-15(17-9-16-14)10-5-1-3-7-12(10)19-13-8-4-2-6-11(13)15/h1,3,5,7,9-13H,2,4,6,8H2,(H,16,17,18)
InChIKeyRJPPLZNYJLUZOU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.58
Rot. Bonds

About spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one

spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one (PubChem CID 66826019) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one.

Molecular Properties

Compound Namespiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one
PubChem CID66826019
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namespiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one
SMILESO=C1NC=NC12C1C=CC=CC1OC1CCCCC12
InChIInChI=1S/C15H18N2O2/c18-14-15(17-9-16-14)10-5-1-3-7-12(10)19-13-8-4-2-6-11(13)15/h1,3,5,7,9-13H,2,4,6,8H2,(H,16,17,18)
InChIKeyRJPPLZNYJLUZOU-UHFFFAOYSA-N
XLogP1.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one?
The IUPAC name of spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one (CID 66826019) is spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one.
What is the SMILES notation for spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one?
The canonical SMILES for spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one is O=C1NC=NC12C1C=CC=CC1OC1CCCCC12.
What is the InChIKey of spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one?
The InChIKey is RJPPLZNYJLUZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-15(17-9-16-14)10-5-1-3-7-12(10)19-13-8-4-2-6-11(13)15/h1,3,5,7,9-13H,2,4,6,8H2,(H,16,17,18).
What are the key properties of spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one?
spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one has a molecular weight of 258.32 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,4'-1H-imidazole]-5'-one is sourced from PubChem (CID 66826019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).