3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C17H16N2O2 — CID 171342549

IUPAC3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc2c(=O)[nH]c(-c3ccc(C4(O)CC4)cc3)cn12
InChIInChI=1S/C17H16N2O2/c1-11-2-7-15-16(20)18-14(10-19(11)15)12-3-5-13(6-4-12)17(21)8-9-17/h2-7,10,21H,8-9H2,1H3,(H,18,20)
InChIKeyUIPJAQKAZCQVPU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds2

About 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 171342549) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID171342549
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc2c(=O)[nH]c(-c3ccc(C4(O)CC4)cc3)cn12
InChIInChI=1S/C17H16N2O2/c1-11-2-7-15-16(20)18-14(10-19(11)15)12-3-5-13(6-4-12)17(21)8-9-17/h2-7,10,21H,8-9H2,1H3,(H,18,20)
InChIKeyUIPJAQKAZCQVPU-UHFFFAOYSA-N
XLogP2.58
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 171342549) is 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1ccc2c(=O)[nH]c(-c3ccc(C4(O)CC4)cc3)cn12.
What is the InChIKey of 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is UIPJAQKAZCQVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-2-7-15-16(20)18-14(10-19(11)15)12-3-5-13(6-4-12)17(21)8-9-17/h2-7,10,21H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 280.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxycyclopropyl)phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 171342549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).