(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C8H16N2O — CID 138719509

IUPAC(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCO[C@@H]1CC2CNCCN2C1
InChIInChI=1S/C8H16N2O/c1-11-8-4-7-5-9-2-3-10(7)6-8/h7-9H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyATHHKQMHRWUULC-BRFYHDHCSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds1

About (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 138719509) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID138719509
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCO[C@@H]1CC2CNCCN2C1
InChIInChI=1S/C8H16N2O/c1-11-8-4-7-5-9-2-3-10(7)6-8/h7-9H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyATHHKQMHRWUULC-BRFYHDHCSA-N
XLogP-0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 138719509) is (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is CO[C@@H]1CC2CNCCN2C1.
What is the InChIKey of (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is ATHHKQMHRWUULC-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H16N2O/c1-11-8-4-7-5-9-2-3-10(7)6-8/h7-9H,2-6H2,1H3/t7?,8-/m1/s1.
What are the key properties of (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 156.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 138719509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).