5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C10H19FN2 — CID 81114724

IUPAC5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CCCF
InChIInChI=1S/C10H19FN2/c1-8-10-6-12-5-9(10)7-13(8)4-2-3-11/h8-10,12H,2-7H2,1H3
InChIKeyKMEVBBYUUXHHDZ-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.89
Rot. Bonds3

About 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 81114724) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID81114724
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CCCF
InChIInChI=1S/C10H19FN2/c1-8-10-6-12-5-9(10)7-13(8)4-2-3-11/h8-10,12H,2-7H2,1H3
InChIKeyKMEVBBYUUXHHDZ-UHFFFAOYSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 81114724) is 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1CCCF.
What is the InChIKey of 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is KMEVBBYUUXHHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-8-10-6-12-5-9(10)7-13(8)4-2-3-11/h8-10,12H,2-7H2,1H3.
What are the key properties of 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 186.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 81114724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).