11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one

C23H25NO2 — CID 6431893

IUPAC11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one
SMILESO=C1N(C2CCCCC2)CC2CC1(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C23H25NO2/c25-22-23(17-9-3-1-4-10-17)15-19(26-21-14-8-7-13-20(21)23)16-24(22)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18-19H,2,5-6,11-12,15-16H2
InChIKeyUWOMNSAPCNHFGY-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.30
Rot. Bonds2

About 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one

11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one (PubChem CID 6431893) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one.

Molecular Properties

Compound Name11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one
PubChem CID6431893
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one
SMILESO=C1N(C2CCCCC2)CC2CC1(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C23H25NO2/c25-22-23(17-9-3-1-4-10-17)15-19(26-21-14-8-7-13-20(21)23)16-24(22)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18-19H,2,5-6,11-12,15-16H2
InChIKeyUWOMNSAPCNHFGY-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one?
The IUPAC name of 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one (CID 6431893) is 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one.
What is the SMILES notation for 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one?
The canonical SMILES for 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one is O=C1N(C2CCCCC2)CC2CC1(c1ccccc1)c1ccccc1O2.
What is the InChIKey of 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one?
The InChIKey is UWOMNSAPCNHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c25-22-23(17-9-3-1-4-10-17)15-19(26-21-14-8-7-13-20(21)23)16-24(22)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18-19H,2,5-6,11-12,15-16H2.
What are the key properties of 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one?
11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one has a molecular weight of 347.46 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexyl-1-phenyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one is sourced from PubChem (CID 6431893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).