(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C15H15BrN2O — CID 47176415

IUPAC(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C15H15BrN2O/c16-12-5-1-4-11(10-12)15(19)18-9-3-7-14(18)13-6-2-8-17-13/h1-2,4-6,8,10,14,17H,3,7,9H2
InChIKeyLKNOJBPOHFNCGH-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.75
Rot. Bonds2

About (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 47176415) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID47176415
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C15H15BrN2O/c16-12-5-1-4-11(10-12)15(19)18-9-3-7-14(18)13-6-2-8-17-13/h1-2,4-6,8,10,14,17H,3,7,9H2
InChIKeyLKNOJBPOHFNCGH-UHFFFAOYSA-N
XLogP3.75
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 47176526
(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
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95286779
1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 97025098
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
(3-amino-5-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 81093488
(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47028453

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 47176415) is (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LKNOJBPOHFNCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-12-5-1-4-11(10-12)15(19)18-9-3-7-14(18)13-6-2-8-17-13/h1-2,4-6,8,10,14,17H,3,7,9H2.
What are the key properties of (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 319.20 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 47176415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).