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

C10H12N2O — CID 171850101

IUPAC3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one
SMILESC=Cc1c(N=C)ccn(CC)c1=O
InChIInChI=1S/C10H12N2O/c1-4-8-9(11-3)6-7-12(5-2)10(8)13/h4,6-7H,1,3,5H2,2H3
InChIKeyAOGUQLYQKCPHIE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.84
Rot. Bonds3

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

3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one (PubChem CID 171850101) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one.

Molecular Properties

Compound Name3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one
PubChem CID171850101
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one
SMILESC=Cc1c(N=C)ccn(CC)c1=O
InChIInChI=1S/C10H12N2O/c1-4-8-9(11-3)6-7-12(5-2)10(8)13/h4,6-7H,1,3,5H2,2H3
InChIKeyAOGUQLYQKCPHIE-UHFFFAOYSA-N
XLogP1.84
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.84
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
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
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one?
The IUPAC name of 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one (CID 171850101) is 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one.
What is the SMILES notation for 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one?
The canonical SMILES for 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one is C=Cc1c(N=C)ccn(CC)c1=O.
What is the InChIKey of 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one?
The InChIKey is AOGUQLYQKCPHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-8-9(11-3)6-7-12(5-2)10(8)13/h4,6-7H,1,3,5H2,2H3.
What are the key properties of 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one?
3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one is sourced from PubChem (CID 171850101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).