3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one

C22H22N2O2 — CID 54131739

IUPAC3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one
SMILESCC(C)Oc1nc(=Cc2ccccc2)c(=O)n(C)c1=Cc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16(2)26-21-20(15-18-12-8-5-9-13-18)24(3)22(25)19(23-21)14-17-10-6-4-7-11-17/h4-16H,1-3H3
InChIKeyNUVRWKDWNRLNJX-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.23
Rot. Bonds4

About 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one

3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one (PubChem CID 54131739) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one.

Molecular Properties

Compound Name3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one
PubChem CID54131739
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one
SMILESCC(C)Oc1nc(=Cc2ccccc2)c(=O)n(C)c1=Cc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16(2)26-21-20(15-18-12-8-5-9-13-18)24(3)22(25)19(23-21)14-17-10-6-4-7-11-17/h4-16H,1-3H3
InChIKeyNUVRWKDWNRLNJX-UHFFFAOYSA-N
XLogP2.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one?
The IUPAC name of 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one (CID 54131739) is 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one.
What is the SMILES notation for 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one?
The canonical SMILES for 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one is CC(C)Oc1nc(=Cc2ccccc2)c(=O)n(C)c1=Cc1ccccc1.
What is the InChIKey of 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one?
The InChIKey is NUVRWKDWNRLNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(2)26-21-20(15-18-12-8-5-9-13-18)24(3)22(25)19(23-21)14-17-10-6-4-7-11-17/h4-16H,1-3H3.
What are the key properties of 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one?
3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one has a molecular weight of 346.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzylidene-1-methyl-5-propan-2-yloxypyrazin-2-one is sourced from PubChem (CID 54131739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).