3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one

C11H14N2O — CID 171849477

IUPAC3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one
SMILESC=Cc1c(N=C)ccn(C(C)C)c1=O
InChIInChI=1S/C11H14N2O/c1-5-9-10(12-4)6-7-13(8(2)3)11(9)14/h5-8H,1,4H2,2-3H3
InChIKeyAFNXEJGTGJWOFT-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.40
Rot. Bonds3

About 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one

3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one (PubChem CID 171849477) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one
PubChem CID171849477
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one
SMILESC=Cc1c(N=C)ccn(C(C)C)c1=O
InChIInChI=1S/C11H14N2O/c1-5-9-10(12-4)6-7-13(8(2)3)11(9)14/h5-8H,1,4H2,2-3H3
InChIKeyAFNXEJGTGJWOFT-UHFFFAOYSA-N
XLogP2.40
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-Dimethylpyrrolo[2,3-c]pyridin-2-one
CID 19776304
1-Butan-2-yl-4-methylpyridin-2-one
CID 68104896
3,4-Dimethyl-1-propan-2-ylpyridin-2-one
CID 118683349
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
1,3,6-Trimethylpyrrolo[2,3-c]pyridin-2-one
CID 143269971
ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
CID 143711173
3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
CID 143711174
5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one
CID 143848949
3-Ethenyl-4-(methylideneamino)-1-(2-oxopropyl)pyridin-2-one
CID 143873399
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
3-methyl-N-(methylideneamino)-2-[(Z)-2-(methylideneamino)ethenyl]-N-propan-2-ylbut-2-enamide
CID 145188158

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one (CID 171849477) is 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one is C=Cc1c(N=C)ccn(C(C)C)c1=O.
What is the InChIKey of 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one?
The InChIKey is AFNXEJGTGJWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-5-9-10(12-4)6-7-13(8(2)3)11(9)14/h5-8H,1,4H2,2-3H3.
What are the key properties of 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one?
3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171849477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).