9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one

C15H16N2O2 — CID 134857570

IUPAC9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one
SMILESCCN1C(=O)C2CC1C1ON=C(c3ccccc3)C21
InChIInChI=1S/C15H16N2O2/c1-2-17-11-8-10(15(17)18)12-13(16-19-14(11)12)9-6-4-3-5-7-9/h3-7,10-12,14H,2,8H2,1H3
InChIKeyBGQAUPJURHIPFU-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.66
Rot. Bonds2

About 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one

9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one (PubChem CID 134857570) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one.

Molecular Properties

Compound Name9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one
PubChem CID134857570
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one
SMILESCCN1C(=O)C2CC1C1ON=C(c3ccccc3)C21
InChIInChI=1S/C15H16N2O2/c1-2-17-11-8-10(15(17)18)12-13(16-19-14(11)12)9-6-4-3-5-7-9/h3-7,10-12,14H,2,8H2,1H3
InChIKeyBGQAUPJURHIPFU-UHFFFAOYSA-N
XLogP1.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one with MolForge

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Related Compounds

(1R,2S,6S,7R,8S,9S)-8,9-bis(diphenylphosphoryl)-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 98107598
(1S,2S,6S,7S,8R,9S)-8,9-bis(diphenylphosphoryl)-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 98043580
[(3aS,4R,6S,6aR)-4-amino-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]methanol
CID 102386839
phenyl-[(1R,2R,6R,7S)-5-phenyl-3,8-dioxa-4,9-diazatricyclo[5.2.2.02,6]undec-4-en-9-yl]methanone
CID 24756194
phenyl-(5-phenyl-3-oxa-4,8-diazatricyclo[5.2.1.02,6]dec-4-en-8-yl)methanone
CID 134837067
(1R,5S,6R,7S)-6,7-dichloro-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
CID 23270346
(1S,2R,6R,8S)-5,9-diphenyl-3,11-dioxa-7λ6-thia-4,10-diazatricyclo[6.3.0.02,6]undeca-4,9-diene 7,7-dioxide
CID 27242942
(1S,2R,6S,7R,8R,12S)-5-(4-chlorophenyl)-10-phenyl-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 98072911
(1S,2R,6R,7S,8R,12S)-5-(4-methylsulfinylphenyl)-10-phenyl-3,13-dioxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 24745527
dimethyl (1R,5S,6R,7R)-4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate
CID 23270353
4-[(1R,2S,6R,7S,8S,12S)-10-ethyl-9,11-dioxo-3,13-dioxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-en-5-yl]benzonitrile
CID 98443894
methyl (1S,2R,6R,7S,9R)-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene-9-carboxylate
CID 101103593

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one?
The IUPAC name of 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one (CID 134857570) is 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one.
What is the SMILES notation for 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one?
The canonical SMILES for 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one is CCN1C(=O)C2CC1C1ON=C(c3ccccc3)C21.
What is the InChIKey of 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one?
The InChIKey is BGQAUPJURHIPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-17-11-8-10(15(17)18)12-13(16-19-14(11)12)9-6-4-3-5-7-9/h3-7,10-12,14H,2,8H2,1H3.
What are the key properties of 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one?
9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one has a molecular weight of 256.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-5-phenyl-3-oxa-4,9-diazatricyclo[5.2.1.02,6]dec-4-en-8-one is sourced from PubChem (CID 134857570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).