2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene

C14H17NO — CID 576029

IUPAC2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NCC3(CCCCC3)O2)cc1
InChIInChI=1S/C14H17NO/c1-3-7-12(8-4-1)13-15-11-14(16-13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyZGCACLLFMJBESA-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.17
Rot. Bonds1

About 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene

2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene (PubChem CID 576029) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene
PubChem CID576029
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NCC3(CCCCC3)O2)cc1
InChIInChI=1S/C14H17NO/c1-3-7-12(8-4-1)13-15-11-14(16-13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyZGCACLLFMJBESA-UHFFFAOYSA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,6-triphenyl-4,5-dihydro-1,3-oxazine
CID 601932
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
spiro[2H-1,4-benzodioxine-3,1'-cyclohexane]
CID 45122018
2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one
CID 570147
1,1'-biphenyl;cycloheptane
CID 174877368
N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide
CID 71560071
8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine
CID 106821114
(5-methyl-2-phenyl-4,6-dihydro-1,3-oxazin-5-yl)methanol
CID 11745783
(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole
CID 135035333
(2R,3S)-3-chloro-7-fluoro-2'-phenylspiro[3H-1-benzofuran-2,5'-4H-1,3-oxazole]
CID 132518610
4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 10655331
2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene
CID 25243036

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene?
The IUPAC name of 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene (CID 576029) is 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene is c1ccc(C2=NCC3(CCCCC3)O2)cc1.
What is the InChIKey of 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene?
The InChIKey is ZGCACLLFMJBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-7-12(8-4-1)13-15-11-14(16-13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene?
2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene has a molecular weight of 215.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 576029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).