8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one

C15H18N2O4 — CID 114344968

IUPAC8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(O)c3O)CC2)CN1
InChIInChI=1S/C15H18N2O4/c18-11-3-1-2-10(13(11)20)14(21)17-6-4-15(5-7-17)8-12(19)16-9-15/h1-3,18,20H,4-9H2,(H,16,19)
InChIKeyWQQSGGPXHVEKQC-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.84
Rot. Bonds1

About 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 114344968) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID114344968
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(O)c3O)CC2)CN1
InChIInChI=1S/C15H18N2O4/c18-11-3-1-2-10(13(11)20)14(21)17-6-4-15(5-7-17)8-12(19)16-9-15/h1-3,18,20H,4-9H2,(H,16,19)
InChIKeyWQQSGGPXHVEKQC-UHFFFAOYSA-N
XLogP0.84
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414
8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50969847
2-[2-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185511
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 91777588
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
8-azaspiro[4.5]decan-8-yl-(2-hydroxyphenyl)methanone
CID 63161441
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 114344968) is 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3cccc(O)c3O)CC2)CN1.
What is the InChIKey of 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WQQSGGPXHVEKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-11-3-1-2-10(13(11)20)14(21)17-6-4-15(5-7-17)8-12(19)16-9-15/h1-3,18,20H,4-9H2,(H,16,19).
What are the key properties of 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 290.32 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 114344968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).