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

C11H21FN2 — CID 170657561

IUPAC(7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)CN1CCN2C[C@H](F)C[C@H]2C1
InChIInChI=1S/C11H21FN2/c1-9(2)6-13-3-4-14-7-10(12)5-11(14)8-13/h9-11H,3-8H2,1-2H3/t10-,11+/m1/s1
InChIKeyNDRPAECQNCMTHK-MNOVXSKESA-N
MW200.30 g/mol
LogP1.37
Rot. Bonds2

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

(7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 170657561) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID170657561
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name(7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)CN1CCN2C[C@H](F)C[C@H]2C1
InChIInChI=1S/C11H21FN2/c1-9(2)6-13-3-4-14-7-10(12)5-11(14)8-13/h9-11H,3-8H2,1-2H3/t10-,11+/m1/s1
InChIKeyNDRPAECQNCMTHK-MNOVXSKESA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-(fluoromethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 59215858
4-fluoro-1-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]piperidine
CID 66580564
4-fluoro-1-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]piperidine
CID 68267622
4-Fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
CID 77147802
2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734075
6-tert-butyl-4-fluoro-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 118901673
4-fluoro-1,6-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 118906451
2-Ethyl-7,7-difluoro-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 124117084
7,7-Difluoro-2-propan-2-yl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 124118982
7,7-Difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 124119987
1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 130629155
(7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 140943223

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 170657561) is (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)CN1CCN2C[C@H](F)C[C@H]2C1.
What is the InChIKey of (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is NDRPAECQNCMTHK-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21FN2/c1-9(2)6-13-3-4-14-7-10(12)5-11(14)8-13/h9-11H,3-8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 200.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-fluoro-2-(2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 170657561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).