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

C16H15BrN2O2 — CID 95286779

IUPAC3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC[C@H]1c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O2/c17-12-5-1-4-11(10-12)14-7-3-9-19(14)16(21)13-6-2-8-18-15(13)20/h1-2,4-6,8,10,14H,3,7,9H2,(H,18,20)/t14-/m0/s1
InChIKeyIFMGVAQVHYPKKC-AWEZNQCLSA-N
MW347.21 g/mol
LogP3.11
Rot. Bonds2

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

3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95286779) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID95286779
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC[C@H]1c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O2/c17-12-5-1-4-11(10-12)14-7-3-9-19(14)16(21)13-6-2-8-18-15(13)20/h1-2,4-6,8,10,14H,3,7,9H2,(H,18,20)/t14-/m0/s1
InChIKeyIFMGVAQVHYPKKC-AWEZNQCLSA-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

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Related Compounds

5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 65309796
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
(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-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404
1-[2-(3-bromophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876524

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 95286779) is 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC[C@H]1c1cccc(Br)c1.
What is the InChIKey of 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is IFMGVAQVHYPKKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-12-5-1-4-11(10-12)14-7-3-9-19(14)16(21)13-6-2-8-18-15(13)20/h1-2,4-6,8,10,14H,3,7,9H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
3-[(2S)-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 3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95286779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).