(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone

C11H12BrNO — CID 42076627

IUPAC(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1)[C@@H]1CCCN1
InChIInChI=1S/C11H12BrNO/c12-9-5-3-8(4-6-9)11(14)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2/t10-/m0/s1
InChIKeyGJLJOALXZNZATN-JTQLQIEISA-N
MW254.13 g/mol
LogP2.38
Rot. Bonds2

About (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone

(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 42076627) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID42076627
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1)[C@@H]1CCCN1
InChIInChI=1S/C11H12BrNO/c12-9-5-3-8(4-6-9)11(14)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2/t10-/m0/s1
InChIKeyGJLJOALXZNZATN-JTQLQIEISA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
[4-(4-bromophenyl)-4-oxobutanoyl] (2S)-pyrrolidine-2-carboxylate
CID 88734276
phenyl(piperidin-2-yl)methanone
CID 19772085
(4-aminophenyl)-(azetidin-2-yl)methanone
CID 84655583
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
N-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 119299525
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide
CID 64867866
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
azetidin-2-yl(phenyl)methanone
CID 84651225

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone (CID 42076627) is (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone is O=C(c1ccc(Br)cc1)[C@@H]1CCCN1.
What is the InChIKey of (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is GJLJOALXZNZATN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12BrNO/c12-9-5-3-8(4-6-9)11(14)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2/t10-/m0/s1.
What are the key properties of (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone?
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 254.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 42076627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).