5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione

C13H21NO3 — CID 79317483

IUPAC5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC1CC2(CCO1)CC(=O)NC(=O)C2C
InChIInChI=1S/C13H21NO3/c1-3-4-10-7-13(5-6-17-10)8-11(15)14-12(16)9(13)2/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyJCVQHROVONPWQB-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.63
Rot. Bonds2

About 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione

5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 79317483) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID79317483
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC1CC2(CCO1)CC(=O)NC(=O)C2C
InChIInChI=1S/C13H21NO3/c1-3-4-10-7-13(5-6-17-10)8-11(15)14-12(16)9(13)2/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyJCVQHROVONPWQB-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione with MolForge

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Related Compounds

4-[(5-Methyl-4,6-dioxooxan-2-yl)methyl]piperidine-2,6-dione
CID 54104285
3-Methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide
CID 167085990
4-(Oxan-3-yl)piperidine-2,6-dione
CID 63741319
10-Methyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 64136633
10-Propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 64136634
10-Propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 64136635
10,10-Dimethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 64136636
10-Ethyl-10-methyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 64139711
10-Ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 64139712
3-[2-(Oxolan-2-yl)ethyl]piperidine-2,6-dione
CID 65165680
3-(3-Ethoxypropyl)piperidine-2,6-dione
CID 65178163
6-(2-Methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79317322

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione (CID 79317483) is 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione is CCCC1CC2(CCO1)CC(=O)NC(=O)C2C.
What is the InChIKey of 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is JCVQHROVONPWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-4-10-7-13(5-6-17-10)8-11(15)14-12(16)9(13)2/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 239.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-propyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79317483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).