(7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C8H15FN2 — CID 146199370

IUPAC(7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCN1CCN2C[C@@H](F)C[C@H]2C1
InChIInChI=1S/C8H15FN2/c1-10-2-3-11-5-7(9)4-8(11)6-10/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyPAKNARLXECHHCM-YUMQZZPRSA-N
MW158.22 g/mol
LogP0.34
Rot. Bonds

About (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 146199370) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID146199370
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCN1CCN2C[C@@H](F)C[C@H]2C1
InChIInChI=1S/C8H15FN2/c1-10-2-3-11-5-7(9)4-8(11)6-10/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyPAKNARLXECHHCM-YUMQZZPRSA-N
XLogP0.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 146199370) is (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CN1CCN2C[C@@H](F)C[C@H]2C1.
What is the InChIKey of (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PAKNARLXECHHCM-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15FN2/c1-10-2-3-11-5-7(9)4-8(11)6-10/h7-8H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 158.22 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 146199370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).