ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one

C14H20N2O — CID 153352874

IUPACethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one
SMILESC=N/C(=C\C=C/C)c1ccc(=O)n(C)c1.CC
InChIInChI=1S/C12H14N2O.C2H6/c1-4-5-6-11(13-2)10-7-8-12(15)14(3)9-10;1-2/h4-9H,2H2,1,3H3;1-2H3/b5-4-,11-6-;
InChIKeyIBONBDHAQMXIJZ-XXAFYWQYSA-N
MW232.33 g/mol
LogP3.03
Rot. Bonds3

About ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one

ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one (PubChem CID 153352874) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one
PubChem CID153352874
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one
SMILESC=N/C(=C\C=C/C)c1ccc(=O)n(C)c1.CC
InChIInChI=1S/C12H14N2O.C2H6/c1-4-5-6-11(13-2)10-7-8-12(15)14(3)9-10;1-2/h4-9H,2H2,1,3H3;1-2H3/b5-4-,11-6-;
InChIKeyIBONBDHAQMXIJZ-XXAFYWQYSA-N
XLogP3.03
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one?
The IUPAC name of ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one (CID 153352874) is ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one.
What is the SMILES notation for ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one?
The canonical SMILES for ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one is C=N/C(=C\C=C/C)c1ccc(=O)n(C)c1.CC.
What is the InChIKey of ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one?
The InChIKey is IBONBDHAQMXIJZ-XXAFYWQYSA-N. The full InChI is InChI=1S/C12H14N2O.C2H6/c1-4-5-6-11(13-2)10-7-8-12(15)14(3)9-10;1-2/h4-9H,2H2,1,3H3;1-2H3/b5-4-,11-6-;.
What are the key properties of ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one?
ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one has a molecular weight of 232.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one is sourced from PubChem (CID 153352874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).