(1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one

C19H17NO2 — CID 162673978

IUPAC(1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one
SMILESO=C1CC[C@@]2(c3ccccc3)O[C@H]3Cc4ccccc4[C@@H]3N12
InChIInChI=1S/C19H17NO2/c21-17-10-11-19(14-7-2-1-3-8-14)20(17)18-15-9-5-4-6-13(15)12-16(18)22-19/h1-9,16,18H,10-12H2/t16-,18-,19-/m0/s1
InChIKeyNIGVXMNTKJPGDH-WDSOQIARSA-N
MW291.35 g/mol
LogP3.16
Rot. Bonds1

About (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one

(1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one (PubChem CID 162673978) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one.

Molecular Properties

Compound Name(1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one
PubChem CID162673978
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one
SMILESO=C1CC[C@@]2(c3ccccc3)O[C@H]3Cc4ccccc4[C@@H]3N12
InChIInChI=1S/C19H17NO2/c21-17-10-11-19(14-7-2-1-3-8-14)20(17)18-15-9-5-4-6-13(15)12-16(18)22-19/h1-9,16,18H,10-12H2/t16-,18-,19-/m0/s1
InChIKeyNIGVXMNTKJPGDH-WDSOQIARSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one?
The IUPAC name of (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one (CID 162673978) is (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one.
What is the SMILES notation for (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one?
The canonical SMILES for (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one is O=C1CC[C@@]2(c3ccccc3)O[C@H]3Cc4ccccc4[C@@H]3N12.
What is the InChIKey of (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one?
The InChIKey is NIGVXMNTKJPGDH-WDSOQIARSA-N. The full InChI is InChI=1S/C19H17NO2/c21-17-10-11-19(14-7-2-1-3-8-14)20(17)18-15-9-5-4-6-13(15)12-16(18)22-19/h1-9,16,18H,10-12H2/t16-,18-,19-/m0/s1.
What are the key properties of (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one?
(1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one has a molecular weight of 291.35 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S,11S)-11-phenyl-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one is sourced from PubChem (CID 162673978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).