1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C7H13FN2 — CID 151897210

IUPAC1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2CCN(F)C2C1
InChIInChI=1S/C7H13FN2/c1-9-4-6-2-3-10(8)7(6)5-9/h6-7H,2-5H2,1H3
InChIKeySRZJYKXKUGLDBU-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.51
Rot. Bonds

About 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 151897210) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID151897210
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2CCN(F)C2C1
InChIInChI=1S/C7H13FN2/c1-9-4-6-2-3-10(8)7(6)5-9/h6-7H,2-5H2,1H3
InChIKeySRZJYKXKUGLDBU-UHFFFAOYSA-N
XLogP0.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-octahydropyrrolo(3,4-b)pyrrole
CID 16228899
rac-(3aR,6aR)-1-methyl-octahydropyrrolo(2,3-c)pyrrole
CID 17567361
rac-(3aR,6aR)-5-methyl-octahydropyrrolo(3,4-b)pyrrole
CID 51624593
1-Methyloctahydropyrrolo[3,4-B]pyrrole
CID 15070001
3-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole
CID 68499599
1-(2,2-Difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 130719293
(3R,3aS,6aS)-3-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 169184754
(3R,3aS,6aS)-3-fluoro-1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 170218444
3a-fluoro-1,2,5-trimethyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
CID 171531101
1,5-Difluoro-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 176121171
(6aS)-1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 177157056
1-(2-Fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 130637855

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 151897210) is 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CN1CC2CCN(F)C2C1.
What is the InChIKey of 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is SRZJYKXKUGLDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-9-4-6-2-3-10(8)7(6)5-9/h6-7H,2-5H2,1H3.
What are the key properties of 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 144.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 151897210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).