3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one

C11H12N2O2 — CID 143873399

IUPAC3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one
SMILESC=Cc1c(N=C)ccn(CC(C)=O)c1=O
InChIInChI=1S/C11H12N2O2/c1-4-9-10(12-3)5-6-13(11(9)15)7-8(2)14/h4-6H,1,3,7H2,2H3
InChIKeyAGDPDYWOQYNDCM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.41
Rot. Bonds4

About 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one

3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one (PubChem CID 143873399) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one
PubChem CID143873399
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one
SMILESC=Cc1c(N=C)ccn(CC(C)=O)c1=O
InChIInChI=1S/C11H12N2O2/c1-4-9-10(12-3)5-6-13(11(9)15)7-8(2)14/h4-6H,1,3,7H2,2H3
InChIKeyAGDPDYWOQYNDCM-UHFFFAOYSA-N
XLogP1.41
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.41
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 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one?
The IUPAC name of 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one (CID 143873399) is 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one?
The canonical SMILES for 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one is C=Cc1c(N=C)ccn(CC(C)=O)c1=O.
What is the InChIKey of 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one?
The InChIKey is AGDPDYWOQYNDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-4-9-10(12-3)5-6-13(11(9)15)7-8(2)14/h4-6H,1,3,7H2,2H3.
What are the key properties of 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one?
3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 143873399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).