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

C11H16N2O — CID 143839054

IUPAC1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
SMILESC/C=C\C1=C(/C=N/C)C(=O)N(C)CC1
InChIInChI=1S/C11H16N2O/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2/h4-5,8H,6-7H2,1-3H3/b5-4-,12-8+
InChIKeyJCPFZYOKOYQTIN-KVIXIMHDSA-N
MW192.26 g/mol
LogP1.42
Rot. Bonds2

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

1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one (PubChem CID 143839054) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
PubChem CID143839054
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
SMILESC/C=C\C1=C(/C=N/C)C(=O)N(C)CC1
InChIInChI=1S/C11H16N2O/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2/h4-5,8H,6-7H2,1-3H3/b5-4-,12-8+
InChIKeyJCPFZYOKOYQTIN-KVIXIMHDSA-N
XLogP1.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.42
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-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one (CID 143839054) is 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one is C/C=C\C1=C(/C=N/C)C(=O)N(C)CC1.
What is the InChIKey of 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The InChIKey is JCPFZYOKOYQTIN-KVIXIMHDSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2/h4-5,8H,6-7H2,1-3H3/b5-4-,12-8+.
What are the key properties of 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one has a molecular weight of 192.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 143839054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).