[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone

C18H23ClN2O — CID 70719580

IUPAC[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
SMILESCN1CC[C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@H]21
InChIInChI=1S/C18H23ClN2O/c1-20-10-7-13-11-21(12-16(13)20)17(22)18(8-2-9-18)14-3-5-15(19)6-4-14/h3-6,13,16H,2,7-12H2,1H3/t13-,16+/m0/s1
InChIKeyZBGUOSNLJSIHET-XJKSGUPXSA-N
MW318.85 g/mol
LogP2.92
Rot. Bonds2

About [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone

[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone (PubChem CID 70719580) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
PubChem CID70719580
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
SMILESCN1CC[C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@H]21
InChIInChI=1S/C18H23ClN2O/c1-20-10-7-13-11-21(12-16(13)20)17(22)18(8-2-9-18)14-3-5-15(19)6-4-14/h3-6,13,16H,2,7-12H2,1H3/t13-,16+/m0/s1
InChIKeyZBGUOSNLJSIHET-XJKSGUPXSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone 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

[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 70898167
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 120655672
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 120657064
[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(4-chlorophenyl)oxan-4-yl]methanone
CID 126810716
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
[1-(4-chlorophenyl)cyclohexyl]-[(3S,4S)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]methanone
CID 110149106
[(4aR,8aR)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-4-ylmethanone
CID 126466606
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone?
The IUPAC name of [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone (CID 70719580) is [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone.
What is the SMILES notation for [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone?
The canonical SMILES for [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone is CN1CC[C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@H]21.
What is the InChIKey of [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone?
The InChIKey is ZBGUOSNLJSIHET-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-20-10-7-13-11-21(12-16(13)20)17(22)18(8-2-9-18)14-3-5-15(19)6-4-14/h3-6,13,16H,2,7-12H2,1H3/t13-,16+/m0/s1.
What are the key properties of [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone?
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone has a molecular weight of 318.85 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone is sourced from PubChem (CID 70719580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).