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

C10H19FN2 — CID 140943223

IUPAC(7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)N1CCN2C[C@@H](F)C[C@H]2C1
InChIInChI=1S/C10H19FN2/c1-8(2)12-3-4-13-6-9(11)5-10(13)7-12/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyURIOMVXSLFSFPT-UWVGGRQHSA-N
MW186.27 g/mol
LogP1.12
Rot. Bonds1

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

(7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 140943223) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID140943223
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)N1CCN2C[C@@H](F)C[C@H]2C1
InChIInChI=1S/C10H19FN2/c1-8(2)12-3-4-13-6-9(11)5-10(13)7-12/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyURIOMVXSLFSFPT-UWVGGRQHSA-N
XLogP1.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 140943223) is (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)N1CCN2C[C@@H](F)C[C@H]2C1.
What is the InChIKey of (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is URIOMVXSLFSFPT-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19FN2/c1-8(2)12-3-4-13-6-9(11)5-10(13)7-12/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 186.27 g/mol, XLogP of 1.12, 1 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-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 140943223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).