3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione

C14H13NO4 — CID 15497951

IUPAC3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
SMILESO=C1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C14H13NO4/c16-11-6-8-14(9-7-11)12(17)15(13(18)19-14)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyVVQJBRKIVSGVBP-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.05
Rot. Bonds1

About 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione

3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione (PubChem CID 15497951) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione.

Molecular Properties

Compound Name3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
PubChem CID15497951
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
SMILESO=C1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C14H13NO4/c16-11-6-8-14(9-7-11)12(17)15(13(18)19-14)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyVVQJBRKIVSGVBP-UHFFFAOYSA-N
XLogP2.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077245
5-benzyl-5-fluoro-3-phenyl-1,3-oxazolidine-2,4-dione
CID 132574285
(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
CID 139049260
5-ethenyl-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 168864617
5-hydrazinyl-3-phenyl-5-piperidin-1-yl-1,3-oxazolidine-2,4-dione
CID 87542552
(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
CID 155926943
ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
CID 20530498
3-phenyl-1,3-oxazolidine-2,4-dione
CID 10888463
5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 102476767
3,3-diethyl-1-phenylpiperidine-2,6-dione
CID 3028428
3'-phenylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
CID 146087793
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione?
The IUPAC name of 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione (CID 15497951) is 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione.
What is the SMILES notation for 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione?
The canonical SMILES for 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione is O=C1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione?
The InChIKey is VVQJBRKIVSGVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-11-6-8-14(9-7-11)12(17)15(13(18)19-14)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione?
3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione has a molecular weight of 259.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione is sourced from PubChem (CID 15497951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).