3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione

C11H18N2O2 — CID 13436719

IUPAC3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H18N2O2/c1-2-3-8-13-9(14)11(12-10(13)15)6-4-5-7-11/h2-8H2,1H3,(H,12,15)
InChIKeyFULMTQRSLRKUHM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds3

About 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione

3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 13436719) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID13436719
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H18N2O2/c1-2-3-8-13-9(14)11(12-10(13)15)6-4-5-7-11/h2-8H2,1H3,(H,12,15)
InChIKeyFULMTQRSLRKUHM-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924546
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293566
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide
CID 30750351
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
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-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 13436719) is 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione is CCCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is FULMTQRSLRKUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-8-13-9(14)11(12-10(13)15)6-4-5-7-11/h2-8H2,1H3,(H,12,15).
What are the key properties of 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 13436719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).