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

C7H10N2O — CID 53438167

IUPAC2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CC=C2CNCCN12
InChIInChI=1S/C7H10N2O/c10-7-2-1-6-5-8-3-4-9(6)7/h1,8H,2-5H2
InChIKeyMGVBPCYCRIQOIA-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.29
Rot. Bonds

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

2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one (PubChem CID 53438167) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one
PubChem CID53438167
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CC=C2CNCCN12
InChIInChI=1S/C7H10N2O/c10-7-2-1-6-5-8-3-4-9(6)7/h1,8H,2-5H2
InChIKeyMGVBPCYCRIQOIA-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 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one (CID 53438167) is 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one is O=C1CC=C2CNCCN12.
What is the InChIKey of 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is MGVBPCYCRIQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-7-2-1-6-5-8-3-4-9(6)7/h1,8H,2-5H2.
What are the key properties of 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one?
2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-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 2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 53438167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).