1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one

C15H19Cl2NO — CID 11551780

IUPAC1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one
SMILESCCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C15H19Cl2NO/c1-2-12(18-7-3-4-8-18)10-15(19)11-5-6-13(16)14(17)9-11/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyBQKRARPXRCZXGV-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.44
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one

1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one (PubChem CID 11551780) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one
PubChem CID11551780
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one
SMILESCCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C15H19Cl2NO/c1-2-12(18-7-3-4-8-18)10-15(19)11-5-6-13(16)14(17)9-11/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyBQKRARPXRCZXGV-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
2-(Tert-butylamino)-1-(3,4-dichlorophenyl)butan-1-one
CID 44542809
2-(Tert-butylamino)-1-(3,4-dichlorophenyl)pentan-1-one
CID 44543273
4-Chloro-alpha-PVP
CID 69245309
1-(3,4-Dichlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone
CID 45487890
(3,4-Dichlorophenyl)(3-(3,3-dimethylbutyl)pyrrolidin-3-yl)methanone
CID 46934585
(3,4-Dichlorophenyl)(2-propylpyrrolidin-2-yl)methanone
CID 49865822
2-(Tert-butyl(methyl)amino)-1-(3-chlorophenyl)propan-1-one
CID 20695745
1-Propanone, 1-(4-chlorophenyl)-3-(1-piperidinyl)-, hydrochloride
CID 199915
4'-Chloro-alpha-pyrrolidinopropiophenone
CID 43227582
2-(N,N-Diethylamino)-3''-chloropropiophenone
CID 43227726
1-(3,4-Dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5218417

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one (CID 11551780) is 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one is CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one?
The InChIKey is BQKRARPXRCZXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-2-12(18-7-3-4-8-18)10-15(19)11-5-6-13(16)14(17)9-11/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one?
1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one has a molecular weight of 300.23 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 11551780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).