methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate

C18H20FNO2 — CID 134322716

IUPACmethyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=CC(N2CC=C(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H20FNO2/c1-22-18(21)15-4-7-17(12-15)20-10-8-14(9-11-20)13-2-5-16(19)6-3-13/h2-3,5-6,8,12,17H,4,7,9-11H2,1H3
InChIKeyQWHKKVFGUIDJAB-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.18
Rot. Bonds3

About methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate

methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate (PubChem CID 134322716) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate
PubChem CID134322716
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Namemethyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=CC(N2CC=C(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H20FNO2/c1-22-18(21)15-4-7-17(12-15)20-10-8-14(9-11-20)13-2-5-16(19)6-3-13/h2-3,5-6,8,12,17H,4,7,9-11H2,1H3
InChIKeyQWHKKVFGUIDJAB-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate?
The IUPAC name of methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate (CID 134322716) is methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate?
The canonical SMILES for methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate is COC(=O)C1=CC(N2CC=C(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate?
The InChIKey is QWHKKVFGUIDJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-22-18(21)15-4-7-17(12-15)20-10-8-14(9-11-20)13-2-5-16(19)6-3-13/h2-3,5-6,8,12,17H,4,7,9-11H2,1H3.
What are the key properties of methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate?
methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate has a molecular weight of 301.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentene-1-carboxylate is sourced from PubChem (CID 134322716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).