5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one

C24H23NO2 — CID 14873219

IUPAC5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one
SMILESO=c1oc2c(c(N3CCCC3)c1-c1ccccc1)CCCc1ccccc1-2
InChIInChI=1S/C24H23NO2/c26-24-21(18-10-2-1-3-11-18)22(25-15-6-7-16-25)20-14-8-12-17-9-4-5-13-19(17)23(20)27-24/h1-5,9-11,13H,6-8,12,14-16H2
InChIKeyGYMAAIIOGFPOMN-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.06
Rot. Bonds2

About 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one

5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one (PubChem CID 14873219) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one.

Molecular Properties

Compound Name5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one
PubChem CID14873219
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one
SMILESO=c1oc2c(c(N3CCCC3)c1-c1ccccc1)CCCc1ccccc1-2
InChIInChI=1S/C24H23NO2/c26-24-21(18-10-2-1-3-11-18)22(25-15-6-7-16-25)20-14-8-12-17-9-4-5-13-19(17)23(20)27-24/h1-5,9-11,13H,6-8,12,14-16H2
InChIKeyGYMAAIIOGFPOMN-UHFFFAOYSA-N
XLogP5.06
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one with MolForge

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Related Compounds

Biphenyl-2-carboxylic acid 1,4-dimethyl-piperidin-4-yl ester
CID 13640206
2-Phenethyl-benzoic acid 1,4-dimethyl-piperidin-4-yl ester
CID 13640208
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbenzoate
CID 44337755
2,3-Dehydrococaine
CID 125058
2-oxo-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-benzo[h]chromene-3-carbonitrile
CID 67394212
methyl (1S,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 129716008
4-(Dimethylamino)-3-phenyl-5,6,7,8-tetrahydrochromen-2-one
CID 13567627
4-Hydroxy-3,6-diphenyl-5-(pyrrolidino-1-carbonyl)-5,6-dihydropyran-2-one
CID 129855604
methyl (2E)-2-[(5S)-1-benzyl-5-methyl-5-phenylpyrrolidin-2-ylidene]-2-phenylacetate
CID 162402064
5-Methyl-6-naphthalen-1-yl-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
CID 164665413
methyl (1R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 185598
(2-Methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) benzoate
CID 199363

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one?
The IUPAC name of 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one (CID 14873219) is 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one.
What is the SMILES notation for 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one?
The canonical SMILES for 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one is O=c1oc2c(c(N3CCCC3)c1-c1ccccc1)CCCc1ccccc1-2.
What is the InChIKey of 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one?
The InChIKey is GYMAAIIOGFPOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-24-21(18-10-2-1-3-11-18)22(25-15-6-7-16-25)20-14-8-12-17-9-4-5-13-19(17)23(20)27-24/h1-5,9-11,13H,6-8,12,14-16H2.
What are the key properties of 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one?
5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one has a molecular weight of 357.45 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one is sourced from PubChem (CID 14873219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).