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

C9H12N2O — CID 145293390

IUPAC5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
SMILESC=CC1=C(N=C)CCN(C)C1=O
InChIInChI=1S/C9H12N2O/c1-4-7-8(10-2)5-6-11(3)9(7)12/h4H,1-2,5-6H2,3H3
InChIKeyUOKCKOOGEVVIRV-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.99
Rot. Bonds2

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

5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one (PubChem CID 145293390) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
PubChem CID145293390
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
SMILESC=CC1=C(N=C)CCN(C)C1=O
InChIInChI=1S/C9H12N2O/c1-4-7-8(10-2)5-6-11(3)9(7)12/h4H,1-2,5-6H2,3H3
InChIKeyUOKCKOOGEVVIRV-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

2-Ethyl-1-methyl-6-oxopyridine-3-carboxamide
CID 89778584
1,6-Dimethyl-5-(methyliminomethyl)pyridin-2-one
CID 123207508
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
ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 143711214
ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 143818770
5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one
CID 143848949
5,6-Bis(ethenyl)-1-ethyl-3-methylpyridin-2-one
CID 144097097
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
Ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394193
Ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145416260

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one?
The IUPAC name of 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one (CID 145293390) is 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one is C=CC1=C(N=C)CCN(C)C1=O.
What is the InChIKey of 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one?
The InChIKey is UOKCKOOGEVVIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-7-8(10-2)5-6-11(3)9(7)12/h4H,1-2,5-6H2,3H3.
What are the key properties of 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one?
5-ethenyl-1-methyl-4-(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 5-ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 145293390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).