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

C16H20BrNO — CID 79543724

IUPAC2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1Cc1cccc(Br)c1
InChIInChI=1S/C16H20BrNO/c17-13-5-1-4-12(10-13)11-18-9-3-7-15(18)14-6-2-8-16(14)19/h1,4-5,10,14-15H,2-3,6-9,11H2
InChIKeyHTOXPZKBTVLGTG-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.78
Rot. Bonds3

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

2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79543724) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79543724
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1Cc1cccc(Br)c1
InChIInChI=1S/C16H20BrNO/c17-13-5-1-4-12(10-13)11-18-9-3-7-15(18)14-6-2-8-16(14)19/h1,4-5,10,14-15H,2-3,6-9,11H2
InChIKeyHTOXPZKBTVLGTG-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
(3aS,7aS)-1-benzyl-3,3a,5,6,7,7a-hexahydro-2H-indol-4-one
CID 86591295
2-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 107881215
2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 82917495
(4aR,7aR)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 7200726
1-benzyl-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-4-one
CID 78090939
1-[(3-bromophenyl)methyl]-2-(chloromethyl)pyrrolidine
CID 63388042
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 114930256
2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79548256
2-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 106863575
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 79543724) is 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1Cc1cccc(Br)c1.
What is the InChIKey of 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is HTOXPZKBTVLGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c17-13-5-1-4-12(10-13)11-18-9-3-7-15(18)14-6-2-8-16(14)19/h1,4-5,10,14-15H,2-3,6-9,11H2.
What are the key properties of 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 322.25 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79543724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).