3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one

C16H18FNO2 — CID 51074625

IUPAC3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one
SMILESCC1CC(N2CC=C(c3ccc(F)cc3)CC2)C(=O)O1
InChIInChI=1S/C16H18FNO2/c1-11-10-15(16(19)20-11)18-8-6-13(7-9-18)12-2-4-14(17)5-3-12/h2-6,11,15H,7-10H2,1H3
InChIKeyMNZDJPYFOHJXOO-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.62
Rot. Bonds2

About 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one

3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one (PubChem CID 51074625) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one
PubChem CID51074625
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one
SMILESCC1CC(N2CC=C(c3ccc(F)cc3)CC2)C(=O)O1
InChIInChI=1S/C16H18FNO2/c1-11-10-15(16(19)20-11)18-8-6-13(7-9-18)12-2-4-14(17)5-3-12/h2-6,11,15H,7-10H2,1H3
InChIKeyMNZDJPYFOHJXOO-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one?
The IUPAC name of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one (CID 51074625) is 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one is CC1CC(N2CC=C(c3ccc(F)cc3)CC2)C(=O)O1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one?
The InChIKey is MNZDJPYFOHJXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11-10-15(16(19)20-11)18-8-6-13(7-9-18)12-2-4-14(17)5-3-12/h2-6,11,15H,7-10H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one?
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one has a molecular weight of 275.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 51074625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).