3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide

C8H11N3O2 — CID 69404239

IUPAC3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESNC(=O)C1NC(=O)CN2CCC=C12
InChIInChI=1S/C8H11N3O2/c9-8(13)7-5-2-1-3-11(5)4-6(12)10-7/h2,7H,1,3-4H2,(H2,9,13)(H,10,12)
InChIKeySVMAAUDXZFGEHJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-1.44
Rot. Bonds1

About 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide

3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 69404239) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID69404239
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESNC(=O)C1NC(=O)CN2CCC=C12
InChIInChI=1S/C8H11N3O2/c9-8(13)7-5-2-1-3-11(5)4-6(12)10-7/h2,7H,1,3-4H2,(H2,9,13)(H,10,12)
InChIKeySVMAAUDXZFGEHJ-UHFFFAOYSA-N
XLogP-1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide (CID 69404239) is 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide is NC(=O)C1NC(=O)CN2CCC=C12.
What is the InChIKey of 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is SVMAAUDXZFGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8(13)7-5-2-1-3-11(5)4-6(12)10-7/h2,7H,1,3-4H2,(H2,9,13)(H,10,12).
What are the key properties of 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide?
3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 69404239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).