2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one

C16H18BrNO2 — CID 79548256

IUPAC2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C(=O)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c17-12-5-1-4-11(10-12)16(20)18-9-3-7-14(18)13-6-2-8-15(13)19/h1,4-5,10,13-14H,2-3,6-9H2
InChIKeyHBICECUMMPYYQB-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.42
Rot. Bonds2

About 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79548256) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79548256
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C(=O)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c17-12-5-1-4-11(10-12)16(20)18-9-3-7-14(18)13-6-2-8-15(13)19/h1,4-5,10,13-14H,2-3,6-9H2
InChIKeyHBICECUMMPYYQB-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromo-3-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 103957729
2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79539412
2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539470
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539008
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
2-[1-(2,3-dihydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 114343667
(4aS,8aR)-1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 754278
2-[1-(5-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547562
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
2-[1-(4-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79538176
[1-(3-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357642

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79548256) is 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1C(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is HBICECUMMPYYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-12-5-1-4-11(10-12)16(20)18-9-3-7-14(18)13-6-2-8-15(13)19/h1,4-5,10,13-14H,2-3,6-9H2.
What are the key properties of 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 336.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79548256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).