2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone

C12H13Cl2NO — CID 107311274

IUPAC2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CCCN1
InChIInChI=1S/C12H13Cl2NO/c13-9-4-1-3-8(12(9)14)7-11(16)10-5-2-6-15-10/h1,3-4,10,15H,2,5-7H2
InChIKeyNQDNDCIQRVNQRJ-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.86
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone

2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone (PubChem CID 107311274) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
PubChem CID107311274
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CCCN1
InChIInChI=1S/C12H13Cl2NO/c13-9-4-1-3-8(12(9)14)7-11(16)10-5-2-6-15-10/h1,3-4,10,15H,2,5-7H2
InChIKeyNQDNDCIQRVNQRJ-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292099
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
2-(3-chloro-4-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 82088330
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107311653
3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82289362
3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292100

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone (CID 107311274) is 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone is O=C(Cc1cccc(Cl)c1Cl)C1CCCN1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone?
The InChIKey is NQDNDCIQRVNQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c13-9-4-1-3-8(12(9)14)7-11(16)10-5-2-6-15-10/h1,3-4,10,15H,2,5-7H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone?
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone has a molecular weight of 258.15 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 107311274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).