2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone

C15H19ClN2O2 — CID 62228168

IUPAC2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone
SMILESCC1CC2CNCC2N1C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-10-5-11-7-17-8-14(11)18(10)15(19)9-20-13-4-2-3-12(16)6-13/h2-4,6,10-11,14,17H,5,7-9H2,1H3
InChIKeyYEEGPUIZXXBOTM-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone

2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone (PubChem CID 62228168) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone
PubChem CID62228168
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone
SMILESCC1CC2CNCC2N1C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-10-5-11-7-17-8-14(11)18(10)15(19)9-20-13-4-2-3-12(16)6-13/h2-4,6,10-11,14,17H,5,7-9H2,1H3
InChIKeyYEEGPUIZXXBOTM-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone 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-(3-chlorophenyl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone
CID 62505306
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
(4-chlorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595523
1-(3-chlorophenyl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43598001
1-(4-chloro-3-methylpiperidin-1-yl)-2-(3-chlorophenoxy)ethanone
CID 114683193
3-[2-(3-chlorophenoxy)acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792555
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,5-dichlorophenoxy)ethanone
CID 120659713
(2R,3R)-1-[2-(3-chlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114931
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902
1-[2-(3-chlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356795
(4-chloro-3-fluorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 107990028
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone (CID 62228168) is 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone is CC1CC2CNCC2N1C(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The InChIKey is YEEGPUIZXXBOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-5-11-7-17-8-14(11)18(10)15(19)9-20-13-4-2-3-12(16)6-13/h2-4,6,10-11,14,17H,5,7-9H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone?
2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone has a molecular weight of 294.78 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone is sourced from PubChem (CID 62228168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).