[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C17H19FN2O2 — CID 126818993

IUPAC[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(O)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2O2/c1-19-9-2-3-15(19)16(21)20-10-8-17(22,12-20)11-13-4-6-14(18)7-5-13/h2-7,9,22H,8,10-12H2,1H3
InChIKeyOHCXFWPNYXLKEC-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.98
Rot. Bonds3

About [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 126818993) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID126818993
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(O)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2O2/c1-19-9-2-3-15(19)16(21)20-10-8-17(22,12-20)11-13-4-6-14(18)7-5-13/h2-7,9,22H,8,10-12H2,1H3
InChIKeyOHCXFWPNYXLKEC-UHFFFAOYSA-N
XLogP1.98
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 126818993) is [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCC(O)(Cc2ccc(F)cc2)C1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is OHCXFWPNYXLKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-19-9-2-3-15(19)16(21)20-10-8-17(22,12-20)11-13-4-6-14(18)7-5-13/h2-7,9,22H,8,10-12H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 302.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 126818993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).