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

C15H19FN2O2 — CID 81284204

IUPAC(4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CC3CNCC3C2C)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-9-12-7-17-6-11(12)8-18(9)15(19)10-3-4-13(16)14(5-10)20-2/h3-5,9,11-12,17H,6-8H2,1-2H3
InChIKeyBRMXNJMFXLCFLW-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.51
Rot. Bonds2

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

(4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 81284204) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID81284204
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CC3CNCC3C2C)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-9-12-7-17-6-11(12)8-18(9)15(19)10-3-4-13(16)14(5-10)20-2/h3-5,9,11-12,17H,6-8H2,1-2H3
InChIKeyBRMXNJMFXLCFLW-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3-methoxy-4-methylphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66213040
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone
CID 66213045
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207439
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207445
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone
CID 66208799
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 66212567
[2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66208795
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
1-(4-fluoro-3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81283944
(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
(2,6-dichlorophenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66213440

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 81284204) is (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is COc1cc(C(=O)N2CC3CNCC3C2C)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is BRMXNJMFXLCFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9-12-7-17-6-11(12)8-18(9)15(19)10-3-4-13(16)14(5-10)20-2/h3-5,9,11-12,17H,6-8H2,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
(4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 278.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 81284204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).