(1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one

C23H23NO2 — CID 145209237

IUPAC(1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
SMILESC[C@H]1C(c2ccc3ccccc3c2)=CC2=CC(=O)OC2[C@H]2CCCCN21
InChIInChI=1S/C23H23NO2/c1-15-20(18-10-9-16-6-2-3-7-17(16)12-18)13-19-14-22(25)26-23(19)21-8-4-5-11-24(15)21/h2-3,6-7,9-10,12-15,21,23H,4-5,8,11H2,1H3/t15-,21+,23?/m0/s1
InChIKeyYLWFBPSGMIDSPM-DNRBXSNLSA-N
MW345.44 g/mol
LogP4.33
Rot. Bonds1

About (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one

(1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one (PubChem CID 145209237) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one.

Molecular Properties

Compound Name(1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
PubChem CID145209237
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
SMILESC[C@H]1C(c2ccc3ccccc3c2)=CC2=CC(=O)OC2[C@H]2CCCCN21
InChIInChI=1S/C23H23NO2/c1-15-20(18-10-9-16-6-2-3-7-17(16)12-18)13-19-14-22(25)26-23(19)21-8-4-5-11-24(15)21/h2-3,6-7,9-10,12-15,21,23H,4-5,8,11H2,1H3/t15-,21+,23?/m0/s1
InChIKeyYLWFBPSGMIDSPM-DNRBXSNLSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The IUPAC name of (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one (CID 145209237) is (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one.
What is the SMILES notation for (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The canonical SMILES for (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one is C[C@H]1C(c2ccc3ccccc3c2)=CC2=CC(=O)OC2[C@H]2CCCCN21.
What is the InChIKey of (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The InChIKey is YLWFBPSGMIDSPM-DNRBXSNLSA-N. The full InChI is InChI=1S/C23H23NO2/c1-15-20(18-10-9-16-6-2-3-7-17(16)12-18)13-19-14-22(25)26-23(19)21-8-4-5-11-24(15)21/h2-3,6-7,9-10,12-15,21,23H,4-5,8,11H2,1H3/t15-,21+,23?/m0/s1.
What are the key properties of (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
(1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one has a molecular weight of 345.44 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-9-methyl-8-naphthalen-2-yl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one is sourced from PubChem (CID 145209237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).