(9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one

C19H21NO2 — CID 145209226

IUPAC(9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
SMILESC[C@H]1C=C(c2ccccc2)C2=CC(=O)OC2C2CCCCN21
InChIInChI=1S/C19H21NO2/c1-13-11-15(14-7-3-2-4-8-14)16-12-18(21)22-19(16)17-9-5-6-10-20(13)17/h2-4,7-8,11-13,17,19H,5-6,9-10H2,1H3/t13-,17?,19?/m0/s1
InChIKeyFAUPQVYFMNKIHU-LJSZUPLFSA-N
MW295.38 g/mol
LogP3.18
Rot. Bonds1

About (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one

(9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one (PubChem CID 145209226) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one.

Molecular Properties

Compound Name(9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
PubChem CID145209226
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
SMILESC[C@H]1C=C(c2ccccc2)C2=CC(=O)OC2C2CCCCN21
InChIInChI=1S/C19H21NO2/c1-13-11-15(14-7-3-2-4-8-14)16-12-18(21)22-19(16)17-9-5-6-10-20(13)17/h2-4,7-8,11-13,17,19H,5-6,9-10H2,1H3/t13-,17?,19?/m0/s1
InChIKeyFAUPQVYFMNKIHU-LJSZUPLFSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The IUPAC name of (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one (CID 145209226) is (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one.
What is the SMILES notation for (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The canonical SMILES for (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one is C[C@H]1C=C(c2ccccc2)C2=CC(=O)OC2C2CCCCN21.
What is the InChIKey of (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The InChIKey is FAUPQVYFMNKIHU-LJSZUPLFSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-11-15(14-7-3-2-4-8-14)16-12-18(21)22-19(16)17-9-5-6-10-20(13)17/h2-4,7-8,11-13,17,19H,5-6,9-10H2,1H3/t13-,17?,19?/m0/s1.
What are the key properties of (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
(9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one has a molecular weight of 295.38 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-methyl-7-phenyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one is sourced from PubChem (CID 145209226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).