[(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone

C19H22N4O2 — CID 97458418

IUPAC[(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN2C[C@H](OCc3ccccc3)C[C@H]2C1
InChIInChI=1S/C19H22N4O2/c24-19(18-11-20-6-7-21-18)23-9-8-22-13-17(10-16(22)12-23)25-14-15-4-2-1-3-5-15/h1-7,11,16-17H,8-10,12-14H2/t16-,17+/m0/s1
InChIKeyWNSGDMWOSIFODZ-DLBZAZTESA-N
MW338.41 g/mol
LogP1.59
Rot. Bonds4

About [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone

[(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone (PubChem CID 97458418) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
PubChem CID97458418
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN2C[C@H](OCc3ccccc3)C[C@H]2C1
InChIInChI=1S/C19H22N4O2/c24-19(18-11-20-6-7-21-18)23-9-8-22-13-17(10-16(22)12-23)25-14-15-4-2-1-3-5-15/h1-7,11,16-17H,8-10,12-14H2/t16-,17+/m0/s1
InChIKeyWNSGDMWOSIFODZ-DLBZAZTESA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone (CID 97458418) is [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN2C[C@H](OCc3ccccc3)C[C@H]2C1.
What is the InChIKey of [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is WNSGDMWOSIFODZ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(18-11-20-6-7-21-18)23-9-8-22-13-17(10-16(22)12-23)25-14-15-4-2-1-3-5-15/h1-7,11,16-17H,8-10,12-14H2/t16-,17+/m0/s1.
What are the key properties of [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
[(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone has a molecular weight of 338.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-phenylmethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97458418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).