2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

C13H16N2O3 — CID 175768675

IUPAC2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESCc1ccc(=O)n2c1C(=O)N(O)C21CCCCC1
InChIInChI=1S/C13H16N2O3/c1-9-5-6-10(16)14-11(9)12(17)15(18)13(14)7-3-2-4-8-13/h5-6,18H,2-4,7-8H2,1H3
InChIKeyXERFYVWJWNGQLS-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.62
Rot. Bonds

About 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (PubChem CID 175768675) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione.

Molecular Properties

Compound Name2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
PubChem CID175768675
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESCc1ccc(=O)n2c1C(=O)N(O)C21CCCCC1
InChIInChI=1S/C13H16N2O3/c1-9-5-6-10(16)14-11(9)12(17)15(18)13(14)7-3-2-4-8-13/h5-6,18H,2-4,7-8H2,1H3
InChIKeyXERFYVWJWNGQLS-UHFFFAOYSA-N
XLogP1.62
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid
CID 146257755
5-hydroxy-2-methyl-4-(2,4,6-trimethylphenyl)-2-azaspiro[5.5]undec-4-en-3-one
CID 139798659
2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 175768734
2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 64793674
ethane;7-methylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-ol
CID 144506413
3-(2-azaspiro[3.6]decan-2-yl)-4-methylbenzoic acid
CID 79686719
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
N'-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744231
3-azaspiro[5.5]undecan-3-yl-(2-methyl-5-sulfanylphenyl)methanone
CID 107028893
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
CID 54759678
1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496

Frequently Asked Questions

What is the IUPAC name of 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The IUPAC name of 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (CID 175768675) is 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione.
What is the SMILES notation for 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The canonical SMILES for 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione is Cc1ccc(=O)n2c1C(=O)N(O)C21CCCCC1.
What is the InChIKey of 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The InChIKey is XERFYVWJWNGQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-5-6-10(16)14-11(9)12(17)15(18)13(14)7-3-2-4-8-13/h5-6,18H,2-4,7-8H2,1H3.
What are the key properties of 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione has a molecular weight of 248.28 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione is sourced from PubChem (CID 175768675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).