methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate

C17H22FNO3 — CID 75507661

IUPACmethyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CC(C)CC1c1ccccc1F
InChIInChI=1S/C17H22FNO3/c1-12-10-15(13-6-3-4-7-14(13)18)19(11-12)16(20)8-5-9-17(21)22-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyFBBRUNXSBBYSCH-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.08
Rot. Bonds5

About methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate

methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate (PubChem CID 75507661) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate
PubChem CID75507661
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Namemethyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CC(C)CC1c1ccccc1F
InChIInChI=1S/C17H22FNO3/c1-12-10-15(13-6-3-4-7-14(13)18)19(11-12)16(20)8-5-9-17(21)22-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyFBBRUNXSBBYSCH-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate (CID 75507661) is methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1CC(C)CC1c1ccccc1F.
What is the InChIKey of methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate?
The InChIKey is FBBRUNXSBBYSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-12-10-15(13-6-3-4-7-14(13)18)19(11-12)16(20)8-5-9-17(21)22-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate?
methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate has a molecular weight of 307.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 75507661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).