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

C10H14N2O — CID 146684509

IUPAC3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
SMILESCC(C)c1ncc2n(c1=O)CCC2
InChIInChI=1S/C10H14N2O/c1-7(2)9-10(13)12-5-3-4-8(12)6-11-9/h6-7H,3-5H2,1-2H3
InChIKeyQLJHYDBCMGWVJF-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.31
Rot. Bonds1

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

3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one (PubChem CID 146684509) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
PubChem CID146684509
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
SMILESCC(C)c1ncc2n(c1=O)CCC2
InChIInChI=1S/C10H14N2O/c1-7(2)9-10(13)12-5-3-4-8(12)6-11-9/h6-7H,3-5H2,1-2H3
InChIKeyQLJHYDBCMGWVJF-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The IUPAC name of 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one (CID 146684509) is 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one.
What is the SMILES notation for 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The canonical SMILES for 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one is CC(C)c1ncc2n(c1=O)CCC2.
What is the InChIKey of 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
The InChIKey is QLJHYDBCMGWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)9-10(13)12-5-3-4-8(12)6-11-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one?
3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one is sourced from PubChem (CID 146684509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).