(3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one

C9H10N2O — CID 134259888

IUPAC(3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one
SMILESC=N/C=c1/cc[nH]c(=O)/c1=C/C
InChIInChI=1S/C9H10N2O/c1-3-8-7(6-10-2)4-5-11-9(8)12/h3-6H,2H2,1H3,(H,11,12)/b7-6-,8-3+
InChIKeyIBSOOAVEFRNBFZ-OHRKGSQHSA-N
MW162.19 g/mol
LogP-0.39
Rot. Bonds1

About (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one

(3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one (PubChem CID 134259888) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one
PubChem CID134259888
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one
SMILESC=N/C=c1/cc[nH]c(=O)/c1=C/C
InChIInChI=1S/C9H10N2O/c1-3-8-7(6-10-2)4-5-11-9(8)12/h3-6H,2H2,1H3,(H,11,12)/b7-6-,8-3+
InChIKeyIBSOOAVEFRNBFZ-OHRKGSQHSA-N
XLogP-0.39
TPSA45.22 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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 (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one?
The IUPAC name of (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one (CID 134259888) is (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one.
What is the SMILES notation for (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one?
The canonical SMILES for (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one is C=N/C=c1/cc[nH]c(=O)/c1=C/C.
What is the InChIKey of (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one?
The InChIKey is IBSOOAVEFRNBFZ-OHRKGSQHSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-8-7(6-10-2)4-5-11-9(8)12/h3-6H,2H2,1H3,(H,11,12)/b7-6-,8-3+.
What are the key properties of (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one?
(3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one has a molecular weight of 162.19 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one is sourced from PubChem (CID 134259888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).