(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C13H20N2O3 — CID 7565636

IUPAC(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)CCN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C13H20N2O3/c1-9-5-3-4-7-13(9)11(17)15(12(18)14-13)8-6-10(2)16/h9H,3-8H2,1-2H3,(H,14,18)/t9-,13-/m1/s1
InChIKeyWNBXJKURJAPWTQ-NOZJJQNGSA-N
MW252.31 g/mol
LogP1.47
Rot. Bonds3

About (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7565636) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7565636
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)CCN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C13H20N2O3/c1-9-5-3-4-7-13(9)11(17)15(12(18)14-13)8-6-10(2)16/h9H,3-8H2,1-2H3,(H,14,18)/t9-,13-/m1/s1
InChIKeyWNBXJKURJAPWTQ-NOZJJQNGSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7565636) is (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione is CC(=O)CCN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O.
What is the InChIKey of (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is WNBXJKURJAPWTQ-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-5-3-4-7-13(9)11(17)15(12(18)14-13)8-6-10(2)16/h9H,3-8H2,1-2H3,(H,14,18)/t9-,13-/m1/s1.
What are the key properties of (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 252.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7565636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).