3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C7H10N2O — CID 55276682

IUPAC3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCCN2CCC=C12
InChIInChI=1S/C7H10N2O/c10-7-6-2-1-4-9(6)5-3-8-7/h2H,1,3-5H2,(H,8,10)
InChIKeyHWBOIHGCEOESIY-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.29
Rot. Bonds

About 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one

3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 55276682) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID55276682
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCCN2CCC=C12
InChIInChI=1S/C7H10N2O/c10-7-6-2-1-4-9(6)5-3-8-7/h2H,1,3-5H2,(H,8,10)
InChIKeyHWBOIHGCEOESIY-UHFFFAOYSA-N
XLogP-0.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 55276682) is 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C1NCCN2CCC=C12.
What is the InChIKey of 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is HWBOIHGCEOESIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-7-6-2-1-4-9(6)5-3-8-7/h2H,1,3-5H2,(H,8,10).
What are the key properties of 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 138.17 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 55276682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).