1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride

C15H21BrClNO — CID 11515769

IUPAC1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
SMILESCCCC(C(=O)c1ccc(Br)cc1)N1CCCC1.Cl
InChIInChI=1S/C15H20BrNO.ClH/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12;/h6-9,14H,2-5,10-11H2,1H3;1H
InChIKeyAZUWBIAMEDSEPX-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride

1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride (PubChem CID 11515769) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
PubChem CID11515769
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
SMILESCCCC(C(=O)c1ccc(Br)cc1)N1CCCC1.Cl
InChIInChI=1S/C15H20BrNO.ClH/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12;/h6-9,14H,2-5,10-11H2,1H3;1H
InChIKeyAZUWBIAMEDSEPX-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile
CID 11550626
1-(4-prop-1-ynylphenyl)-2-pyrrolidin-1-ylpentan-1-one
CID 11594677
carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium
CID 147012728
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11716875
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 4317335
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338
1-(3-bromothiophen-2-yl)-2-pyrrolidin-1-ylpentan-1-one
CID 132533410
2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one
CID 11515772
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one
CID 102144586
ethyl 4-(2-pyrrolidin-1-ylhexanoyl)benzoate
CID 6423083

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride (CID 11515769) is 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride is CCCC(C(=O)c1ccc(Br)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The InChIKey is AZUWBIAMEDSEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO.ClH/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12;/h6-9,14H,2-5,10-11H2,1H3;1H.
What are the key properties of 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride has a molecular weight of 346.70 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 11515769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).