1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one

C11H14N2O — CID 155041166

IUPAC1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one
SMILESC/C=C\c1ccn(C)c(=O)c1/C=N/C
InChIInChI=1S/C11H14N2O/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2/h4-8H,1-3H3/b5-4-,12-8+
InChIKeyWIDNZXJCKWBSMM-KVIXIMHDSA-N
MW190.25 g/mol
LogP1.47
Rot. Bonds2

About 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one

1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one (PubChem CID 155041166) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one
PubChem CID155041166
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one
SMILESC/C=C\c1ccn(C)c(=O)c1/C=N/C
InChIInChI=1S/C11H14N2O/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2/h4-8H,1-3H3/b5-4-,12-8+
InChIKeyWIDNZXJCKWBSMM-KVIXIMHDSA-N
XLogP1.47
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one (CID 155041166) is 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one is C/C=C\c1ccn(C)c(=O)c1/C=N/C.
What is the InChIKey of 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one?
The InChIKey is WIDNZXJCKWBSMM-KVIXIMHDSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2/h4-8H,1-3H3/b5-4-,12-8+.
What are the key properties of 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one?
1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one is sourced from PubChem (CID 155041166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).