5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one

C13H17FN2O2 — CID 171489768

IUPAC5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
SMILESCOc1cccc(F)c1CNCC1CCC(=O)N1
InChIInChI=1S/C13H17FN2O2/c1-18-12-4-2-3-11(14)10(12)8-15-7-9-5-6-13(17)16-9/h2-4,9,15H,5-8H2,1H3,(H,16,17)
InChIKeyXFVPNRZDXKYKMC-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.20
Rot. Bonds5

About 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one

5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 171489768) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID171489768
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
SMILESCOc1cccc(F)c1CNCC1CCC(=O)N1
InChIInChI=1S/C13H17FN2O2/c1-18-12-4-2-3-11(14)10(12)8-15-7-9-5-6-13(17)16-9/h2-4,9,15H,5-8H2,1H3,(H,16,17)
InChIKeyXFVPNRZDXKYKMC-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one (CID 171489768) is 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one is COc1cccc(F)c1CNCC1CCC(=O)N1.
What is the InChIKey of 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is XFVPNRZDXKYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-12-4-2-3-11(14)10(12)8-15-7-9-5-6-13(17)16-9/h2-4,9,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one?
5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 171489768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).