(2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one

C9H10N2O — CID 136594475

IUPAC(2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one
SMILES[H]/N=C/C=c1/[nH]ccc(=O)/c1=C/C
InChIInChI=1S/C9H10N2O/c1-2-7-8(3-5-10)11-6-4-9(7)12/h2-6,10-11H,1H3/b7-2+,8-3+,10-5+
InChIKeyFKLOQAFLUUPZBS-ZJMNIPNBSA-N
MW162.19 g/mol
LogP-0.39
Rot. Bonds1

About (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one

(2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one (PubChem CID 136594475) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one.

Molecular Properties

Compound Name(2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one
PubChem CID136594475
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one
SMILES[H]/N=C/C=c1/[nH]ccc(=O)/c1=C/C
InChIInChI=1S/C9H10N2O/c1-2-7-8(3-5-10)11-6-4-9(7)12/h2-6,10-11H,1H3/b7-2+,8-3+,10-5+
InChIKeyFKLOQAFLUUPZBS-ZJMNIPNBSA-N
XLogP-0.39
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one
CID 142823520
2-(3-ethylidene-1H-pyrrol-2-ylidene)ethanethial
CID 123827472
(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
CID 144634156
ethane;(2Z)-2-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]ethanimine
CID 145330446
(3Z)-3-ethylidene-2-methylidene-1H-pyrrole
CID 144858732
3-hydroxy-2-methoxy-1H-pyridin-4-one
CID 45079798
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
(2E,3Z)-2,3-di(ethylidene)-6H-thieno[2,3-b]pyrrole
CID 167294933
(2E,3Z)-3-but-3-en-2-ylidene-2-ethylidene-1H-pyrrole
CID 143255275
3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one
CID 143455098
(3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane
CID 143818570

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one?
The IUPAC name of (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one (CID 136594475) is (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one.
What is the SMILES notation for (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one?
The canonical SMILES for (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one is [H]/N=C/C=c1/[nH]ccc(=O)/c1=C/C.
What is the InChIKey of (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one?
The InChIKey is FKLOQAFLUUPZBS-ZJMNIPNBSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-7-8(3-5-10)11-6-4-9(7)12/h2-6,10-11H,1H3/b7-2+,8-3+,10-5+.
What are the key properties of (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one?
(2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one has a molecular weight of 162.19 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-ethylidene-2-(2-iminoethylidene)-1H-pyridin-4-one is sourced from PubChem (CID 136594475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).