2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one

C16H19NO2 — CID 570147

IUPAC2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one
SMILESO=C1CC2(CCCCCC2)N=C(c2ccccc2)O1
InChIInChI=1S/C16H19NO2/c18-14-12-16(10-6-1-2-7-11-16)17-15(19-14)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKeyZGBGLSKMBKNTAG-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.47
Rot. Bonds1

About 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one

2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one (PubChem CID 570147) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one.

Molecular Properties

Compound Name2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one
PubChem CID570147
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one
SMILESO=C1CC2(CCCCCC2)N=C(c2ccccc2)O1
InChIInChI=1S/C16H19NO2/c18-14-12-16(10-6-1-2-7-11-16)17-15(19-14)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKeyZGBGLSKMBKNTAG-UHFFFAOYSA-N
XLogP3.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-triphenyl-5H-1,3-oxazin-6-one
CID 570014
1,1'-biphenyl;cycloheptane
CID 174877368
2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 576029
N-[(5S)-1,12-dioxo-3-phenyl-2-oxa-4-azatrispiro[4.0.56.2.514.05]nonadec-3-en-13-ylidene]benzamide
CID 12508023
(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one
CID 11594055
1,1'-biphenyl;cyclooctanone
CID 90108767
4-chloro-2-phenyl-4-propanoyl-1,3-oxazol-5-one
CID 13223327
2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene
CID 25243036
2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene
CID 757371
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 13177925
(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 11086329

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one?
The IUPAC name of 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one (CID 570147) is 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one.
What is the SMILES notation for 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one?
The canonical SMILES for 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one is O=C1CC2(CCCCCC2)N=C(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one?
The InChIKey is ZGBGLSKMBKNTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-14-12-16(10-6-1-2-7-11-16)17-15(19-14)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2.
What are the key properties of 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one?
2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one has a molecular weight of 257.33 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one is sourced from PubChem (CID 570147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).