2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H25FN2 — CID 90191062

IUPAC2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1ccc(N2CC3CN(C4CCCC4)CC3C2)c(F)c1
InChIInChI=1S/C18H25FN2/c1-13-6-7-18(17(19)8-13)21-11-14-9-20(10-15(14)12-21)16-4-2-3-5-16/h6-8,14-16H,2-5,9-12H2,1H3
InChIKeyMTMUDRTYVRWXCZ-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.44
Rot. Bonds2

About 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 90191062) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID90191062
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1ccc(N2CC3CN(C4CCCC4)CC3C2)c(F)c1
InChIInChI=1S/C18H25FN2/c1-13-6-7-18(17(19)8-13)21-11-14-9-20(10-15(14)12-21)16-4-2-3-5-16/h6-8,14-16H,2-5,9-12H2,1H3
InChIKeyMTMUDRTYVRWXCZ-UHFFFAOYSA-N
XLogP3.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 90191062) is 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1ccc(N2CC3CN(C4CCCC4)CC3C2)c(F)c1.
What is the InChIKey of 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is MTMUDRTYVRWXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2/c1-13-6-7-18(17(19)8-13)21-11-14-9-20(10-15(14)12-21)16-4-2-3-5-16/h6-8,14-16H,2-5,9-12H2,1H3.
What are the key properties of 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 288.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 90191062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).