5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C16H15BrN2O2 — CID 60958795

IUPAC5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O2/c17-13-4-1-3-11(9-13)14-5-2-8-19(14)16(21)12-6-7-15(20)18-10-12/h1,3-4,6-7,9-10,14H,2,5,8H2,(H,18,20)
InChIKeyRVTJGMWXIJWUNK-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.11
Rot. Bonds2

About 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 60958795) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID60958795
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O2/c17-13-4-1-3-11(9-13)14-5-2-8-19(14)16(21)12-6-7-15(20)18-10-12/h1,3-4,6-7,9-10,14H,2,5,8H2,(H,18,20)
InChIKeyRVTJGMWXIJWUNK-UHFFFAOYSA-N
XLogP3.11
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95286779
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 95140060
[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[3-[[(S)-methylsulfinyl]methyl]phenyl]methanone
CID 95140063
[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 55888696
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
1-[5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55888947
(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone
CID 63103415
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyridin-2-one
CID 65320539
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 60958795) is 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCCC1c1cccc(Br)c1.
What is the InChIKey of 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is RVTJGMWXIJWUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-13-4-1-3-11(9-13)14-5-2-8-19(14)16(21)12-6-7-15(20)18-10-12/h1,3-4,6-7,9-10,14H,2,5,8H2,(H,18,20).
What are the key properties of 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 347.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 60958795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).