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

C19H20FNO2 — CID 145209223

IUPAC(1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
SMILESCC1C(c2ccc(F)cc2)=CC2=CC(=O)OC2[C@H]2CCCCN12
InChIInChI=1S/C19H20FNO2/c1-12-16(13-5-7-15(20)8-6-13)10-14-11-18(22)23-19(14)17-4-2-3-9-21(12)17/h5-8,10-12,17,19H,2-4,9H2,1H3/t12?,17-,19?/m1/s1
InChIKeyHHRMLNQRPVUTCB-NNKNWRJCSA-N
MW313.37 g/mol
LogP3.32
Rot. Bonds1

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

(1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one (PubChem CID 145209223) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one.

Molecular Properties

Compound Name(1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
PubChem CID145209223
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one
SMILESCC1C(c2ccc(F)cc2)=CC2=CC(=O)OC2[C@H]2CCCCN12
InChIInChI=1S/C19H20FNO2/c1-12-16(13-5-7-15(20)8-6-13)10-14-11-18(22)23-19(14)17-4-2-3-9-21(12)17/h5-8,10-12,17,19H,2-4,9H2,1H3/t12?,17-,19?/m1/s1
InChIKeyHHRMLNQRPVUTCB-NNKNWRJCSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The IUPAC name of (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one (CID 145209223) is (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one.
What is the SMILES notation for (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The canonical SMILES for (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one is CC1C(c2ccc(F)cc2)=CC2=CC(=O)OC2[C@H]2CCCCN12.
What is the InChIKey of (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
The InChIKey is HHRMLNQRPVUTCB-NNKNWRJCSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-12-16(13-5-7-15(20)8-6-13)10-14-11-18(22)23-19(14)17-4-2-3-9-21(12)17/h5-8,10-12,17,19H,2-4,9H2,1H3/t12?,17-,19?/m1/s1.
What are the key properties of (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one?
(1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one has a molecular weight of 313.37 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-(4-fluorophenyl)-9-methyl-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-dien-4-one is sourced from PubChem (CID 145209223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).