1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone

C12H13Cl2NO — CID 43227584

IUPAC1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO/c13-9-3-4-11(14)10(7-9)12(16)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2
InChIKeyBVBRMUHRLPXXTH-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone

1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 43227584) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
PubChem CID43227584
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO/c13-9-3-4-11(14)10(7-9)12(16)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2
InChIKeyBVBRMUHRLPXXTH-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
1-(2,5-dichlorophenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 55210788
1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one
CID 62053397
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 43228705
1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43794680
1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;hydrochloride
CID 45052844
1-(2,5-dichlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 64577442
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
2-(azepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43227260

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone (CID 43227584) is 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is BVBRMUHRLPXXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c13-9-3-4-11(14)10(7-9)12(16)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone?
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 258.15 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43227584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).