[(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

C18H22FNO2 — CID 154819147

IUPAC[(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESOC[C@H]1[C@H]2CN(C/C=C/c3ccc(F)cc3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H22FNO2/c19-14-5-3-13(4-6-14)2-1-9-20-10-16-15(11-21)17-7-8-18(16,12-20)22-17/h1-6,15-17,21H,7-12H2/b2-1+/t15-,16+,17+,18+/m0/s1
InChIKeyXDZLFDVRJWNFOT-JTVDYTMLSA-N
MW303.38 g/mol
LogP2.31
Rot. Bonds4

About [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

[(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (PubChem CID 154819147) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
PubChem CID154819147
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name[(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESOC[C@H]1[C@H]2CN(C/C=C/c3ccc(F)cc3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C18H22FNO2/c19-14-5-3-13(4-6-14)2-1-9-20-10-16-15(11-21)17-7-8-18(16,12-20)22-17/h1-6,15-17,21H,7-12H2/b2-1+/t15-,16+,17+,18+/m0/s1
InChIKeyXDZLFDVRJWNFOT-JTVDYTMLSA-N
XLogP2.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The IUPAC name of [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (CID 154819147) is [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.
What is the SMILES notation for [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The canonical SMILES for [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is OC[C@H]1[C@H]2CN(C/C=C/c3ccc(F)cc3)C[C@]23CC[C@H]1O3.
What is the InChIKey of [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The InChIKey is XDZLFDVRJWNFOT-JTVDYTMLSA-N. The full InChI is InChI=1S/C18H22FNO2/c19-14-5-3-13(4-6-14)2-1-9-20-10-16-15(11-21)17-7-8-18(16,12-20)22-17/h1-6,15-17,21H,7-12H2/b2-1+/t15-,16+,17+,18+/m0/s1.
What are the key properties of [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
[(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol has a molecular weight of 303.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S,6R,7R)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is sourced from PubChem (CID 154819147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).