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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).