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

C15H20N2O — CID 121451670

IUPAC(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC3CN(C)CC3C2)cc1
InChIInChI=1S/C15H20N2O/c1-11-3-5-12(6-4-11)15(18)17-9-13-7-16(2)8-14(13)10-17/h3-6,13-14H,7-10H2,1-2H3
InChIKeyMSMVYPYKASDEGY-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.63
Rot. Bonds1

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

(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone (PubChem CID 121451670) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
PubChem CID121451670
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC3CN(C)CC3C2)cc1
InChIInChI=1S/C15H20N2O/c1-11-3-5-12(6-4-11)15(18)17-9-13-7-16(2)8-14(13)10-17/h3-6,13-14H,7-10H2,1-2H3
InChIKeyMSMVYPYKASDEGY-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-methylphenyl)methanone
CID 130315831
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-N-ethylbenzenesulfonamide
CID 136581329
1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl-(4-methylphenyl)methanone
CID 131648663
[(3aR,7aR)-5-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(4-methylphenyl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155855726
ethane;formic acid;(3-methylazetidin-1-yl)-(4-methylphenyl)methanone
CID 177155026
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(4-methylphenyl)methanone
CID 102679912
(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone
CID 121451720
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
[(3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(4-methylphenyl)methanone
CID 97402600

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone (CID 121451670) is (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC3CN(C)CC3C2)cc1.
What is the InChIKey of (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone?
The InChIKey is MSMVYPYKASDEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-3-5-12(6-4-11)15(18)17-9-13-7-16(2)8-14(13)10-17/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone?
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 121451670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).