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

C15H18F2N2O2 — CID 66208795

IUPAC[2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H18F2N2O2/c1-9-12-7-18-6-10(12)8-19(9)14(20)11-4-2-3-5-13(11)21-15(16)17/h2-5,9-10,12,15,18H,6-8H2,1H3
InChIKeyDGUJRSIDONGIGA-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.97
Rot. Bonds3

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

[2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 66208795) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID66208795
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name[2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H18F2N2O2/c1-9-12-7-18-6-10(12)8-19(9)14(20)11-4-2-3-5-13(11)21-15(16)17/h2-5,9-10,12,15,18H,6-8H2,1H3
InChIKeyDGUJRSIDONGIGA-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 66208795) is [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is CC1C2CNCC2CN1C(=O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is DGUJRSIDONGIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-9-12-7-18-6-10(12)8-19(9)14(20)11-4-2-3-5-13(11)21-15(16)17/h2-5,9-10,12,15,18H,6-8H2,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
[2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 296.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 66208795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).