(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C24H24N2O3 — CID 164689776

IUPAC(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C24H24N2O3/c27-20-10-13-26(15-24(20)11-5-12-25-23(24)29)22(28)21-18-8-3-1-6-16(18)14-17-7-2-4-9-19(17)21/h1-4,6-9,14,20,27H,5,10-13,15H2,(H,25,29)/t20-,24-/m1/s1
InChIKeyWKRFYSCIHQSRCZ-HYBUGGRVSA-N
MW388.47 g/mol
LogP3.10
Rot. Bonds1

About (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164689776) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164689776
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C24H24N2O3/c27-20-10-13-26(15-24(20)11-5-12-25-23(24)29)22(28)21-18-8-3-1-6-16(18)14-17-7-2-4-9-19(17)21/h1-4,6-9,14,20,27H,5,10-13,15H2,(H,25,29)/t20-,24-/m1/s1
InChIKeyWKRFYSCIHQSRCZ-HYBUGGRVSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164688259
(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one
CID 163318749
(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164693349
(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314517
(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314836
(6R,11S)-8-(4-chloro-3-methylbenzoyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164692516
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500
(6R,11S)-11-hydroxy-8-(1,2,5-trimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700356
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 164689776) is (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is O=C(c1c2ccccc2cc2ccccc12)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is WKRFYSCIHQSRCZ-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-20-10-13-26(15-24(20)11-5-12-25-23(24)29)22(28)21-18-8-3-1-6-16(18)14-17-7-2-4-9-19(17)21/h1-4,6-9,14,20,27H,5,10-13,15H2,(H,25,29)/t20-,24-/m1/s1.
What are the key properties of (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 388.47 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164689776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).