8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one

C16H22N2O2 — CID 115098042

IUPAC8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
SMILESCC(C)N1c2cccc(O)c2NC(=O)C12CCCCC2
InChIInChI=1S/C16H22N2O2/c1-11(2)18-12-7-6-8-13(19)14(12)17-15(20)16(18)9-4-3-5-10-16/h6-8,11,19H,3-5,9-10H2,1-2H3,(H,17,20)
InChIKeyYNWWXTLLRJRVBI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.26
Rot. Bonds1

About 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one

8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 115098042) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
PubChem CID115098042
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
SMILESCC(C)N1c2cccc(O)c2NC(=O)C12CCCCC2
InChIInChI=1S/C16H22N2O2/c1-11(2)18-12-7-6-8-13(19)14(12)17-15(20)16(18)9-4-3-5-10-16/h6-8,11,19H,3-5,9-10H2,1-2H3,(H,17,20)
InChIKeyYNWWXTLLRJRVBI-UHFFFAOYSA-N
XLogP3.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
6-hydroxy-1-methylspiro[2,5-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-4-one
CID 115099559
6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098186
7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095581
4-ethyl-8-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098036
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
6,8-di(propan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874595
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115097176

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The IUPAC name of 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one (CID 115098042) is 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The canonical SMILES for 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one is CC(C)N1c2cccc(O)c2NC(=O)C12CCCCC2.
What is the InChIKey of 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
The InChIKey is YNWWXTLLRJRVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-12-7-6-8-13(19)14(12)17-15(20)16(18)9-4-3-5-10-16/h6-8,11,19H,3-5,9-10H2,1-2H3,(H,17,20).
What are the key properties of 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one?
8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 115098042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).