3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one

C13H24N2O2 — CID 13436733

IUPAC3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one
SMILESCCCCN1C(=O)NC2(CCCCCC2)C1O
InChIInChI=1S/C13H24N2O2/c1-2-3-10-15-11(16)13(14-12(15)17)8-6-4-5-7-9-13/h11,16H,2-10H2,1H3,(H,14,17)
InChIKeyDBGUKBZIVPABGB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.22
Rot. Bonds3

About 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one

3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one (PubChem CID 13436733) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one
PubChem CID13436733
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one
SMILESCCCCN1C(=O)NC2(CCCCCC2)C1O
InChIInChI=1S/C13H24N2O2/c1-2-3-10-15-11(16)13(14-12(15)17)8-6-4-5-7-9-13/h11,16H,2-10H2,1H3,(H,14,17)
InChIKeyDBGUKBZIVPABGB-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098609
4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886290
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098615
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83238133
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293566
3,7-dihexylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetrone
CID 10621260
3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51209114

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one (CID 13436733) is 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one is CCCCN1C(=O)NC2(CCCCCC2)C1O.
What is the InChIKey of 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one?
The InChIKey is DBGUKBZIVPABGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-10-15-11(16)13(14-12(15)17)8-6-4-5-7-9-13/h11,16H,2-10H2,1H3,(H,14,17).
What are the key properties of 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one?
3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 13436733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).