3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one

C11H16N2O — CID 146684511

IUPAC3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
SMILESCC[C@H](C)c1ncc2n(c1=O)CCC2
InChIInChI=1S/C11H16N2O/c1-3-8(2)10-11(14)13-6-4-5-9(13)7-12-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyJLBGOBGPJDDRBL-QMMMGPOBSA-N
MW192.26 g/mol
LogP1.70
Rot. Bonds2

About 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one

3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one (PubChem CID 146684511) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
PubChem CID146684511
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
SMILESCC[C@H](C)c1ncc2n(c1=O)CCC2
InChIInChI=1S/C11H16N2O/c1-3-8(2)10-11(14)13-6-4-5-9(13)7-12-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyJLBGOBGPJDDRBL-QMMMGPOBSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The IUPAC name of 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one (CID 146684511) is 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one.
What is the SMILES notation for 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The canonical SMILES for 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one is CC[C@H](C)c1ncc2n(c1=O)CCC2.
What is the InChIKey of 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The InChIKey is JLBGOBGPJDDRBL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8(2)10-11(14)13-6-4-5-9(13)7-12-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one is sourced from PubChem (CID 146684511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).