4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one

C12H12N2OS — CID 909624

IUPAC4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one
SMILESCc1cc(C)n(N=Cc2cccs2)c(=O)c1
InChIInChI=1S/C12H12N2OS/c1-9-6-10(2)14(12(15)7-9)13-8-11-4-3-5-16-11/h3-8H,1-2H3
InChIKeyVBXBTNAXYRYYHU-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.41
Rot. Bonds2

About 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one

4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one (PubChem CID 909624) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one
PubChem CID909624
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one
SMILESCc1cc(C)n(N=Cc2cccs2)c(=O)c1
InChIInChI=1S/C12H12N2OS/c1-9-6-10(2)14(12(15)7-9)13-8-11-4-3-5-16-11/h3-8H,1-2H3
InChIKeyVBXBTNAXYRYYHU-UHFFFAOYSA-N
XLogP2.41
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one?
The IUPAC name of 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one (CID 909624) is 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one is Cc1cc(C)n(N=Cc2cccs2)c(=O)c1.
What is the InChIKey of 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one?
The InChIKey is VBXBTNAXYRYYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-6-10(2)14(12(15)7-9)13-8-11-4-3-5-16-11/h3-8H,1-2H3.
What are the key properties of 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one?
4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one has a molecular weight of 232.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(thiophen-2-ylmethylideneamino)pyridin-2-one is sourced from PubChem (CID 909624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).