3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one

C11H16N2O — CID 164757517

IUPAC3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
SMILESCC(C)(C)c1ncc2n(c1=O)CCC2
InChIInChI=1S/C11H16N2O/c1-11(2,3)9-10(14)13-6-4-5-8(13)7-12-9/h7H,4-6H2,1-3H3
InChIKeyZVFMEEJJRSCPFN-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.49
Rot. Bonds

About 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one

3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one (PubChem CID 164757517) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
PubChem CID164757517
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
SMILESCC(C)(C)c1ncc2n(c1=O)CCC2
InChIInChI=1S/C11H16N2O/c1-11(2,3)9-10(14)13-6-4-5-8(13)7-12-9/h7H,4-6H2,1-3H3
InChIKeyZVFMEEJJRSCPFN-UHFFFAOYSA-N
XLogP1.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The IUPAC name of 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one (CID 164757517) is 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one.
What is the SMILES notation for 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The canonical SMILES for 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one is CC(C)(C)c1ncc2n(c1=O)CCC2.
What is the InChIKey of 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The InChIKey is ZVFMEEJJRSCPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)9-10(14)13-6-4-5-8(13)7-12-9/h7H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one is sourced from PubChem (CID 164757517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).