(3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C10H19FN2 — CID 130734906

IUPAC(3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN(CCCF)C[C@@H]2C1
InChIInChI=1S/C10H19FN2/c1-12-5-9-7-13(4-2-3-11)8-10(9)6-12/h9-10H,2-8H2,1H3/t9-,10+
InChIKeyKEYCKDUXCOKJIX-AOOOYVTPSA-N
MW186.27 g/mol
LogP0.84
Rot. Bonds3

About (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

(3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 130734906) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID130734906
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN(CCCF)C[C@@H]2C1
InChIInChI=1S/C10H19FN2/c1-12-5-9-7-13(4-2-3-11)8-10(9)6-12/h9-10H,2-8H2,1H3/t9-,10+
InChIKeyKEYCKDUXCOKJIX-AOOOYVTPSA-N
XLogP0.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 130734906) is (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1C[C@@H]2CN(CCCF)C[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is KEYCKDUXCOKJIX-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-5-9-7-13(4-2-3-11)8-10(9)6-12/h9-10H,2-8H2,1H3/t9-,10+.
What are the key properties of (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
(3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 186.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-(3-fluoropropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 130734906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).