phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone

C20H18N2O2 — CID 134837067

IUPACphenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone
SMILESO=C(c1ccccc1)N1CC2CC1C1C(c3ccccc3)=NOC21
InChIInChI=1S/C20H18N2O2/c23-20(14-9-5-2-6-10-14)22-12-15-11-16(22)17-18(21-24-19(15)17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2
InChIKeyBKPJSAYEDWBVIQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.95
Rot. Bonds2

About phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone

phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone (PubChem CID 134837067) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone
PubChem CID134837067
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namephenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone
SMILESO=C(c1ccccc1)N1CC2CC1C1C(c3ccccc3)=NOC21
InChIInChI=1S/C20H18N2O2/c23-20(14-9-5-2-6-10-14)22-12-15-11-16(22)17-18(21-24-19(15)17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2
InChIKeyBKPJSAYEDWBVIQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone?
The IUPAC name of phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone (CID 134837067) is phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone.
What is the SMILES notation for phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone?
The canonical SMILES for phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone is O=C(c1ccccc1)N1CC2CC1C1C(c3ccccc3)=NOC21.
What is the InChIKey of phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone?
The InChIKey is BKPJSAYEDWBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(14-9-5-2-6-10-14)22-12-15-11-16(22)17-18(21-24-19(15)17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2.
What are the key properties of phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone?
phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone is sourced from PubChem (CID 134837067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).