2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone

C17H18N2O — CID 110373332

IUPAC2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)c1ccccn1)N1CCCC1
InChIInChI=1S/C17H18N2O/c20-17(19-12-6-7-13-19)16(14-8-2-1-3-9-14)15-10-4-5-11-18-15/h1-5,8-11,16H,6-7,12-13H2
InChIKeyDIQZZXIMGYDCLS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.84
Rot. Bonds3

About 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone

2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone (PubChem CID 110373332) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
PubChem CID110373332
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)c1ccccn1)N1CCCC1
InChIInChI=1S/C17H18N2O/c20-17(19-12-6-7-13-19)16(14-8-2-1-3-9-14)15-10-4-5-11-18-15/h1-5,8-11,16H,6-7,12-13H2
InChIKeyDIQZZXIMGYDCLS-UHFFFAOYSA-N
XLogP2.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433
4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde
CID 110373346
2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone
CID 110373554
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
CID 9412619
(2R)-1-(2-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396293
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
N,2-diphenyl-2-pyridin-2-ylacetamide
CID 110373388
2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78738418

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone (CID 110373332) is 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone is O=C(C(c1ccccc1)c1ccccn1)N1CCCC1.
What is the InChIKey of 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is DIQZZXIMGYDCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(19-12-6-7-13-19)16(14-8-2-1-3-9-14)15-10-4-5-11-18-15/h1-5,8-11,16H,6-7,12-13H2.
What are the key properties of 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 266.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110373332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).