cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone

C24H25NO2 — CID 143800591

IUPACcyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone
SMILESO=C(c1cc(C2=NOC3(CCCCC3)C2)cc(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C24H25NO2/c26-23(18-9-10-18)21-14-19(17-7-3-1-4-8-17)13-20(15-21)22-16-24(27-25-22)11-5-2-6-12-24/h1,3-4,7-8,13-15,18H,2,5-6,9-12,16H2
InChIKeyXMLKWBNQENFRGO-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.77
Rot. Bonds4

About cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone

cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone (PubChem CID 143800591) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone
PubChem CID143800591
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Namecyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone
SMILESO=C(c1cc(C2=NOC3(CCCCC3)C2)cc(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C24H25NO2/c26-23(18-9-10-18)21-14-19(17-7-3-1-4-8-17)13-20(15-21)22-16-24(27-25-22)11-5-2-6-12-24/h1,3-4,7-8,13-15,18H,2,5-6,9-12,16H2
InChIKeyXMLKWBNQENFRGO-UHFFFAOYSA-N
XLogP5.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetophenone, 2'-(3,5-diphenyl-2-isoxazolin-5-yl)-
CID 613689
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
4-Benzoyl-3-phenyl-5-isoxazolone
CID 3656450
1-[3-(2-Fluoro-4-methylphenyl)-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenyl]-3-methylbutan-1-one
CID 58096033
1-[3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096042
2-[3-[3-(4-fluorophenyl)butanoyl]-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]benzonitrile
CID 58096069
1-[3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096091
1-[3-(2-Fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)phenyl]-3-methylbutan-1-one
CID 58096096
1-[3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096132
1-[3-(2-Fluoro-4-methylphenyl)-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)phenyl]-3-methylbutan-1-one
CID 58096198
1-[3-(2-fluoro-4-methylphenyl)-5-[5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methylpropan-1-one
CID 118476321
3-[4-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-3-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 158822746

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone?
The IUPAC name of cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone (CID 143800591) is cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone.
What is the SMILES notation for cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone?
The canonical SMILES for cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone is O=C(c1cc(C2=NOC3(CCCCC3)C2)cc(-c2ccccc2)c1)C1CC1.
What is the InChIKey of cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone?
The InChIKey is XMLKWBNQENFRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-23(18-9-10-18)21-14-19(17-7-3-1-4-8-17)13-20(15-21)22-16-24(27-25-22)11-5-2-6-12-24/h1,3-4,7-8,13-15,18H,2,5-6,9-12,16H2.
What are the key properties of cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone?
cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone has a molecular weight of 359.47 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-5-phenylphenyl]methanone is sourced from PubChem (CID 143800591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).