(4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one

C10H12Cl2N2O2 — CID 97050471

IUPAC(4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one
SMILESC[C@]1(O)CC(=O)N[C@]2(CC(Cl)=CC=C2Cl)N1
InChIInChI=1S/C10H12Cl2N2O2/c1-9(16)5-8(15)13-10(14-9)4-6(11)2-3-7(10)12/h2-3,14,16H,4-5H2,1H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyHVCARBBIQKYKNP-VHSXEESVSA-N
MW263.12 g/mol
LogP1.15
Rot. Bonds

About (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one

(4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one (PubChem CID 97050471) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one.

Molecular Properties

Compound Name(4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one
PubChem CID97050471
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name(4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one
SMILESC[C@]1(O)CC(=O)N[C@]2(CC(Cl)=CC=C2Cl)N1
InChIInChI=1S/C10H12Cl2N2O2/c1-9(16)5-8(15)13-10(14-9)4-6(11)2-3-7(10)12/h2-3,14,16H,4-5H2,1H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyHVCARBBIQKYKNP-VHSXEESVSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one
CID 97050472
(4S,6R)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one
CID 97050473
(4R,6R)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one
CID 97050474

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one?
The IUPAC name of (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one (CID 97050471) is (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one.
What is the SMILES notation for (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one?
The canonical SMILES for (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one is C[C@]1(O)CC(=O)N[C@]2(CC(Cl)=CC=C2Cl)N1.
What is the InChIKey of (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one?
The InChIKey is HVCARBBIQKYKNP-VHSXEESVSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-9(16)5-8(15)13-10(14-9)4-6(11)2-3-7(10)12/h2-3,14,16H,4-5H2,1H3,(H,13,15)/t9-,10+/m0/s1.
What are the key properties of (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one?
(4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one has a molecular weight of 263.12 g/mol, XLogP of 1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-8,11-dichloro-4-hydroxy-4-methyl-1,5-diazaspiro[5.5]undeca-8,10-dien-2-one is sourced from PubChem (CID 97050471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).