1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone

C16H17FN2O — CID 53355379

IUPAC1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1ccn(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O/c17-14-3-5-15(6-4-14)19-10-7-13(11-19)16(20)12-18-8-1-2-9-18/h3-7,10-11H,1-2,8-9,12H2
InChIKeyLWQAVNOZNIGUJG-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.89
Rot. Bonds4

About 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone

1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 53355379) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
PubChem CID53355379
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1ccn(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O/c17-14-3-5-15(6-4-14)19-10-7-13(11-19)16(20)12-18-8-1-2-9-18/h3-7,10-11H,1-2,8-9,12H2
InChIKeyLWQAVNOZNIGUJG-UHFFFAOYSA-N
XLogP2.89
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone (CID 53355379) is 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1ccn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is LWQAVNOZNIGUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-3-5-15(6-4-14)19-10-7-13(11-19)16(20)12-18-8-1-2-9-18/h3-7,10-11H,1-2,8-9,12H2.
What are the key properties of 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone?
1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 272.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53355379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).