3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone

C12H21N3O2 — CID 64893791

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone
SMILESNC1(C(=O)N2CCN3CCCC3C2)CCOC1
InChIInChI=1S/C12H21N3O2/c13-12(3-7-17-9-12)11(16)15-6-5-14-4-1-2-10(14)8-15/h10H,1-9,13H2
InChIKeyNTHJFFXIGYAHFV-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.59
Rot. Bonds1

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone (PubChem CID 64893791) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone
PubChem CID64893791
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone
SMILESNC1(C(=O)N2CCN3CCCC3C2)CCOC1
InChIInChI=1S/C12H21N3O2/c13-12(3-7-17-9-12)11(16)15-6-5-14-4-1-2-10(14)8-15/h10H,1-9,13H2
InChIKeyNTHJFFXIGYAHFV-UHFFFAOYSA-N
XLogP-0.59
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone (CID 64893791) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone is NC1(C(=O)N2CCN3CCCC3C2)CCOC1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone?
The InChIKey is NTHJFFXIGYAHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-12(3-7-17-9-12)11(16)15-6-5-14-4-1-2-10(14)8-15/h10H,1-9,13H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone has a molecular weight of 239.32 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminooxolan-3-yl)methanone is sourced from PubChem (CID 64893791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).