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

C8H8N2O — CID 143711174

IUPAC3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
SMILESC=Cc1c(N=C)cc[nH]c1=O
InChIInChI=1S/C8H8N2O/c1-3-6-7(9-2)4-5-10-8(6)11/h3-5H,1-2H2,(H,10,11)
InChIKeyKVDGWYFDQIVAFO-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.35
Rot. Bonds2

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

3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one (PubChem CID 143711174) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
PubChem CID143711174
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
SMILESC=Cc1c(N=C)cc[nH]c1=O
InChIInChI=1S/C8H8N2O/c1-3-6-7(9-2)4-5-10-8(6)11/h3-5H,1-2H2,(H,10,11)
InChIKeyKVDGWYFDQIVAFO-UHFFFAOYSA-N
XLogP1.35
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.35
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 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one?
The IUPAC name of 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one (CID 143711174) is 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one?
The canonical SMILES for 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one is C=Cc1c(N=C)cc[nH]c1=O.
What is the InChIKey of 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one?
The InChIKey is KVDGWYFDQIVAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-3-6-7(9-2)4-5-10-8(6)11/h3-5H,1-2H2,(H,10,11).
What are the key properties of 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one?
3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one has a molecular weight of 148.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one is sourced from PubChem (CID 143711174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).