6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one

C15H18N2O2S — CID 157444493

IUPAC6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one
SMILESC=C1CCC(=O)C2CN(C(=O)c3sccc3C)CCN12
InChIInChI=1S/C15H18N2O2S/c1-10-5-8-20-14(10)15(19)16-6-7-17-11(2)3-4-13(18)12(17)9-16/h5,8,12H,2-4,6-7,9H2,1H3
InChIKeyRMZBVAYCBQWNSY-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.06
Rot. Bonds1

About 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one

6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one (PubChem CID 157444493) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one
PubChem CID157444493
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one
SMILESC=C1CCC(=O)C2CN(C(=O)c3sccc3C)CCN12
InChIInChI=1S/C15H18N2O2S/c1-10-5-8-20-14(10)15(19)16-6-7-17-11(2)3-4-13(18)12(17)9-16/h5,8,12H,2-4,6-7,9H2,1H3
InChIKeyRMZBVAYCBQWNSY-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one?
The IUPAC name of 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one (CID 157444493) is 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one.
What is the SMILES notation for 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one?
The canonical SMILES for 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one is C=C1CCC(=O)C2CN(C(=O)c3sccc3C)CCN12.
What is the InChIKey of 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one?
The InChIKey is RMZBVAYCBQWNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-5-8-20-14(10)15(19)16-6-7-17-11(2)3-4-13(18)12(17)9-16/h5,8,12H,2-4,6-7,9H2,1H3.
What are the key properties of 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one?
6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one has a molecular weight of 290.39 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one is sourced from PubChem (CID 157444493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).