[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone

C15H20N2O2 — CID 95043086

IUPAC[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2C[C@H]3CN(C)C[C@@H]3C2)c1
InChIInChI=1S/C15H20N2O2/c1-16-7-12-9-17(10-13(12)8-16)15(18)11-4-3-5-14(6-11)19-2/h3-6,12-13H,7-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyRKFJSDNYIQQSQM-CHWSQXEVSA-N
MW260.34 g/mol
LogP1.33
Rot. Bonds2

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

[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 95043086) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
PubChem CID95043086
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2C[C@H]3CN(C)C[C@@H]3C2)c1
InChIInChI=1S/C15H20N2O2/c1-16-7-12-9-17(10-13(12)8-16)15(18)11-4-3-5-14(6-11)19-2/h3-6,12-13H,7-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyRKFJSDNYIQQSQM-CHWSQXEVSA-N
XLogP1.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 122132864
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
(3-methoxyphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594100
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(3-methoxyphenyl)-[7-(3-methylphenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone
CID 53164897
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
CID 133137687
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone (CID 95043086) is [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2C[C@H]3CN(C)C[C@@H]3C2)c1.
What is the InChIKey of [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is RKFJSDNYIQQSQM-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-7-12-9-17(10-13(12)8-16)15(18)11-4-3-5-14(6-11)19-2/h3-6,12-13H,7-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone?
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 95043086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).