3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C17H18N2O2 — CID 71765621

IUPAC3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn2c1
InChIInChI=1S/C17H18N2O2/c1-11-8-15-16(20)18-14(10-19(15)9-11)12-4-6-13(7-5-12)17(2,3)21/h4-10,21H,1-3H3,(H,18,20)
InChIKeyHIVDAZHBOHYAOK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.83
Rot. Bonds2

About 3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71765621) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71765621
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn2c1
InChIInChI=1S/C17H18N2O2/c1-11-8-15-16(20)18-14(10-19(15)9-11)12-4-6-13(7-5-12)17(2,3)21/h4-10,21H,1-3H3,(H,18,20)
InChIKeyHIVDAZHBOHYAOK-UHFFFAOYSA-N
XLogP2.83
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.83
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]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71765621) is 3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn2c1.
What is the InChIKey of 3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is HIVDAZHBOHYAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-8-15-16(20)18-14(10-19(15)9-11)12-4-6-13(7-5-12)17(2,3)21/h4-10,21H,1-3H3,(H,18,20).
What are the key properties of 3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-[4-(2-hydroxypropan-2-yl)phenyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.83, 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]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71765621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).