3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C16H16N2O2 — CID 71765501

IUPAC3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)(O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H16N2O2/c1-16(2,20)12-7-5-11(6-8-12)13-10-18-9-3-4-14(18)15(19)17-13/h3-10,20H,1-2H3,(H,17,19)
InChIKeyWADUGMWGTNMWRD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds2

About 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71765501) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71765501
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)(O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H16N2O2/c1-16(2,20)12-7-5-11(6-8-12)13-10-18-9-3-4-14(18)15(19)17-13/h3-10,20H,1-2H3,(H,17,19)
InChIKeyWADUGMWGTNMWRD-UHFFFAOYSA-N
XLogP2.52
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71765501) is 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CC(C)(O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1.
What is the InChIKey of 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is WADUGMWGTNMWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(2,20)12-7-5-11(6-8-12)13-10-18-9-3-4-14(18)15(19)17-13/h3-10,20H,1-2H3,(H,17,19).
What are the key properties of 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 268.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71765501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).