3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C11H18N2O3 — CID 78924546

IUPAC3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCCN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C11H18N2O3/c1-2-3-6-13-9(14)11(12-10(13)15)4-7-16-8-5-11/h2-8H2,1H3,(H,12,15)
InChIKeyVJBSBYXAOVPSDN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.89
Rot. Bonds3

About 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 78924546) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID78924546
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCCN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C11H18N2O3/c1-2-3-6-13-9(14)11(12-10(13)15)4-7-16-8-5-11/h2-8H2,1H3,(H,12,15)
InChIKeyVJBSBYXAOVPSDN-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.89
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-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528289
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86804220
4-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)butanehydrazide
CID 106528283
4-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-ethylbut-2-enoic acid
CID 106528091
5-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)pentanehydrazide
CID 106528280
3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293566
3-(4-amino-3-ethoxybutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528076
3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528198
7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 11267711
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207

Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 78924546) is 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is CCCCN1C(=O)NC2(CCOCC2)C1=O.
What is the InChIKey of 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is VJBSBYXAOVPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-3-6-13-9(14)11(12-10(13)15)4-7-16-8-5-11/h2-8H2,1H3,(H,12,15).
What are the key properties of 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 78924546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).