3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one

C12H14N2O — CID 143129716

IUPAC3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one
SMILESC=C/C=C/C=N/c1cc(C)[nH]c(=O)c1C
InChIInChI=1S/C12H14N2O/c1-4-5-6-7-13-11-8-9(2)14-12(15)10(11)3/h4-8H,1H2,2-3H3,(H,14,15)/b6-5+,13-7+
InChIKeyHPTPDKZFZOJETR-WOXAVFRBSA-N
MW202.26 g/mol
LogP2.44
Rot. Bonds3

About 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one

3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one (PubChem CID 143129716) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one
PubChem CID143129716
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one
SMILESC=C/C=C/C=N/c1cc(C)[nH]c(=O)c1C
InChIInChI=1S/C12H14N2O/c1-4-5-6-7-13-11-8-9(2)14-12(15)10(11)3/h4-8H,1H2,2-3H3,(H,14,15)/b6-5+,13-7+
InChIKeyHPTPDKZFZOJETR-WOXAVFRBSA-N
XLogP2.44
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide
CID 23388689
N-(5-methyliminopenta-1,3-dien-3-yl)acetamide
CID 74046699
N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]acetamide
CID 90091431
4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one
CID 137277728
dimethyl-[(2E)-3-(propanoylamino)penta-2,4-dienylidene]azanium
CID 142111301
4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 163431485
3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one
CID 165170497
5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium
CID 171513057
2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide
CID 175614047
N-(2H-azepin-3-yl)propanamide
CID 142162270
N-(2H-azepin-4-yl)acetamide
CID 145510910
N-(5-methylidene-2-oxo-4-pyridinyl)acetamide
CID 156592077

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one?
The IUPAC name of 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one (CID 143129716) is 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one.
What is the SMILES notation for 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one?
The canonical SMILES for 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one is C=C/C=C/C=N/c1cc(C)[nH]c(=O)c1C.
What is the InChIKey of 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one?
The InChIKey is HPTPDKZFZOJETR-WOXAVFRBSA-N. The full InChI is InChI=1S/C12H14N2O/c1-4-5-6-7-13-11-8-9(2)14-12(15)10(11)3/h4-8H,1H2,2-3H3,(H,14,15)/b6-5+,13-7+.
What are the key properties of 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one?
3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one is sourced from PubChem (CID 143129716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).