(5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one

C13H19F3N2O2 — CID 124522483

IUPAC(5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(=O)N1CCC2(CC1)CN(C)C(=O)C[C@H]2C(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-9(19)18-5-3-12(4-6-18)8-17(2)11(20)7-10(12)13(14,15)16/h10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyIBUVDUFFAKUELP-SNVBAGLBSA-N
MW292.30 g/mol
LogP1.66
Rot. Bonds

About (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one

(5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 124522483) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID124522483
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name(5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(=O)N1CCC2(CC1)CN(C)C(=O)C[C@H]2C(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-9(19)18-5-3-12(4-6-18)8-17(2)11(20)7-10(12)13(14,15)16/h10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyIBUVDUFFAKUELP-SNVBAGLBSA-N
XLogP1.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 124522483) is (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(=O)N1CCC2(CC1)CN(C)C(=O)C[C@H]2C(F)(F)F.
What is the InChIKey of (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IBUVDUFFAKUELP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-9(19)18-5-3-12(4-6-18)8-17(2)11(20)7-10(12)13(14,15)16/h10H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one?
(5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 292.30 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 124522483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).