3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one

C9H10N2O2 — CID 14082291

IUPAC3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCn1c(CO)cn2cccc2c1=O
InChIInChI=1S/C9H10N2O2/c1-10-7(6-12)5-11-4-2-3-8(11)9(10)13/h2-5,12H,6H2,1H3
InChIKeyFBQNOZXPKMECLU-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.13
Rot. Bonds1

About 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one

3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one (PubChem CID 14082291) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one
PubChem CID14082291
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCn1c(CO)cn2cccc2c1=O
InChIInChI=1S/C9H10N2O2/c1-10-7(6-12)5-11-4-2-3-8(11)9(10)13/h2-5,12H,6H2,1H3
InChIKeyFBQNOZXPKMECLU-UHFFFAOYSA-N
XLogP0.13
TPSA46.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one (CID 14082291) is 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one is Cn1c(CO)cn2cccc2c1=O.
What is the InChIKey of 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is FBQNOZXPKMECLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-10-7(6-12)5-11-4-2-3-8(11)9(10)13/h2-5,12H,6H2,1H3.
What are the key properties of 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one?
3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 178.19 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 14082291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).