5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C16H24FN3 — CID 115940611

IUPAC5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCC(c1ccc(F)cn1)N1CC2CNCC2C1(C)C
InChIInChI=1S/C16H24FN3/c1-4-15(14-6-5-12(17)8-19-14)20-10-11-7-18-9-13(11)16(20,2)3/h5-6,8,11,13,15,18H,4,7,9-10H2,1-3H3
InChIKeyVOZVCMYWCWNUFD-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.60
Rot. Bonds3

About 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 115940611) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID115940611
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCC(c1ccc(F)cn1)N1CC2CNCC2C1(C)C
InChIInChI=1S/C16H24FN3/c1-4-15(14-6-5-12(17)8-19-14)20-10-11-7-18-9-13(11)16(20,2)3/h5-6,8,11,13,15,18H,4,7,9-10H2,1-3H3
InChIKeyVOZVCMYWCWNUFD-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 115940611) is 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCC(c1ccc(F)cn1)N1CC2CNCC2C1(C)C.
What is the InChIKey of 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is VOZVCMYWCWNUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-4-15(14-6-5-12(17)8-19-14)20-10-11-7-18-9-13(11)16(20,2)3/h5-6,8,11,13,15,18H,4,7,9-10H2,1-3H3.
What are the key properties of 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 277.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 115940611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).