4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one

C19H23FN2O2 — CID 16668658

IUPAC4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)CC1=O
InChIInChI=1S/C19H23FN2O2/c1-21-11-14(10-18(21)23)19(24)22-16-6-7-17(22)9-13(8-16)12-2-4-15(20)5-3-12/h2-5,13-14,16-17H,6-11H2,1H3
InChIKeyBIKQMEQPELVTSQ-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.54
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one

4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 16668658) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID16668658
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)CC1=O
InChIInChI=1S/C19H23FN2O2/c1-21-11-14(10-18(21)23)19(24)22-16-6-7-17(22)9-13(8-16)12-2-4-15(20)5-3-12/h2-5,13-14,16-17H,6-11H2,1H3
InChIKeyBIKQMEQPELVTSQ-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one (CID 16668658) is 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one is CN1CC(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)CC1=O.
What is the InChIKey of 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is BIKQMEQPELVTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-21-11-14(10-18(21)23)19(24)22-16-6-7-17(22)9-13(8-16)12-2-4-15(20)5-3-12/h2-5,13-14,16-17H,6-11H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one?
4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 330.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 16668658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).