4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one

C9H12N2O — CID 145416261

IUPAC4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
SMILESC=CC1=C(N=C)C(=O)N(C)CC1
InChIInChI=1S/C9H12N2O/c1-4-7-5-6-11(3)9(12)8(7)10-2/h4H,1-2,5-6H2,3H3
InChIKeyJWOCUROSZVNPAA-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.99
Rot. Bonds2

About 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one

4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one (PubChem CID 145416261) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
PubChem CID145416261
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
SMILESC=CC1=C(N=C)C(=O)N(C)CC1
InChIInChI=1S/C9H12N2O/c1-4-7-5-6-11(3)9(12)8(7)10-2/h4H,1-2,5-6H2,3H3
InChIKeyJWOCUROSZVNPAA-UHFFFAOYSA-N
XLogP0.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Isocyanato-1,4,5,6-tetramethylpyridin-2-one
CID 23382241
1,6-Dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one
CID 23391959
3-amino-1-[(2E,4Z)-4-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]pyridin-2-one
CID 137457795
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
CID 143810965
4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 144338510
5-Ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145293390
ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 145416167
ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416254
3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416255
Ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145416260
1-Butyl-5-ethyl-6-propylpyridin-2-one
CID 154257112

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one?
The IUPAC name of 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one (CID 145416261) is 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one is C=CC1=C(N=C)C(=O)N(C)CC1.
What is the InChIKey of 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one?
The InChIKey is JWOCUROSZVNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-7-5-6-11(3)9(12)8(7)10-2/h4H,1-2,5-6H2,3H3.
What are the key properties of 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one?
4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one has a molecular weight of 164.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 145416261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).