1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C15H20ClNO — CID 50747023

IUPAC1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-15(2,3)14(18)17-10-6-9-13(17)11-7-4-5-8-12(11)16/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKeyZRCALKSRGNZHAX-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.05
Rot. Bonds1

About 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 50747023) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID50747023
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-15(2,3)14(18)17-10-6-9-13(17)11-7-4-5-8-12(11)16/h4-5,7-8,13H,6,9-10H2,1-3H3
InChIKeyZRCALKSRGNZHAX-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54778
N-(2-chlorobenzyl)butanamide
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1-[(2,6-Dichlorophenyl)methyl]pyrrolidine-2,5-dione
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1-[(2-Chlorophenyl)methyl]-4-methylpyridin-2-one
CID 53627066
1-(2-Chlorobenzyl)-4-Hexylpyridin-2(1h)-One
CID 54765333
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)butyramide
CID 11558708
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623560
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623823
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)propionamide
CID 11659436
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 50747023) is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZRCALKSRGNZHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-15(2,3)14(18)17-10-6-9-13(17)11-7-4-5-8-12(11)16/h4-5,7-8,13H,6,9-10H2,1-3H3.
What are the key properties of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 265.78 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 50747023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).