1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one

C11H16N2O — CID 174246681

IUPAC1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
SMILESC=NC1=C(/C=C\C)CCN(CC)C1=O
InChIInChI=1S/C11H16N2O/c1-4-6-9-7-8-13(5-2)11(14)10(9)12-3/h4,6H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyJRVPWCZWHFWKNE-XQRVVYSFSA-N
MW192.26 g/mol
LogP1.77
Rot. Bonds3

About 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one

1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one (PubChem CID 174246681) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
PubChem CID174246681
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
SMILESC=NC1=C(/C=C\C)CCN(CC)C1=O
InChIInChI=1S/C11H16N2O/c1-4-6-9-7-8-13(5-2)11(14)10(9)12-3/h4,6H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyJRVPWCZWHFWKNE-XQRVVYSFSA-N
XLogP1.77
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
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 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one (CID 174246681) is 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one is C=NC1=C(/C=C\C)CCN(CC)C1=O.
What is the InChIKey of 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The InChIKey is JRVPWCZWHFWKNE-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-6-9-7-8-13(5-2)11(14)10(9)12-3/h4,6H,3,5,7-8H2,1-2H3/b6-4-.
What are the key properties of 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one has a molecular weight of 192.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 174246681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).