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

C8H12N2O — CID 102158009

IUPAC(4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESC[C@@H]1CNC(=O)C2=CCCN21
InChIInChI=1S/C8H12N2O/c1-6-5-9-8(11)7-3-2-4-10(6)7/h3,6H,2,4-5H2,1H3,(H,9,11)/t6-/m1/s1
InChIKeyLLEWKUIYXZUECE-ZCFIWIBFSA-N
MW152.20 g/mol
LogP0.09
Rot. Bonds

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

(4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 102158009) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID102158009
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESC[C@@H]1CNC(=O)C2=CCCN21
InChIInChI=1S/C8H12N2O/c1-6-5-9-8(11)7-3-2-4-10(6)7/h3,6H,2,4-5H2,1H3,(H,9,11)/t6-/m1/s1
InChIKeyLLEWKUIYXZUECE-ZCFIWIBFSA-N
XLogP0.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 102158009) is (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is C[C@@H]1CNC(=O)C2=CCCN21.
What is the InChIKey of (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LLEWKUIYXZUECE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-9-8(11)7-3-2-4-10(6)7/h3,6H,2,4-5H2,1H3,(H,9,11)/t6-/m1/s1.
What are the key properties of (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
(4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 152.20 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 102158009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).