3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C12H18N2O3 — CID 60666732

IUPAC3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C12H18N2O3/c1-9(15)5-8-14-10(16)12(13-11(14)17)6-3-2-4-7-12/h2-8H2,1H3,(H,13,17)
InChIKeyACTDTLMOPDDLGX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.22
Rot. Bonds3

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

3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 60666732) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID60666732
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C12H18N2O3/c1-9(15)5-8-14-10(16)12(13-11(14)17)6-3-2-4-7-12/h2-8H2,1H3,(H,13,17)
InChIKeyACTDTLMOPDDLGX-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
8-methyl-3-(4-oxopentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62025169
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7565636
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
hydrazinyl 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337140
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 60666732) is 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione is CC(=O)CCN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ACTDTLMOPDDLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(15)5-8-14-10(16)12(13-11(14)17)6-3-2-4-7-12/h2-8H2,1H3,(H,13,17).
What are the key properties of 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 60666732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).