6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one

C13H18N2O — CID 145351221

IUPAC6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one
SMILESC/C=C\c1c(/C=C\CC)[nH]c(CN)cc1=O
InChIInChI=1S/C13H18N2O/c1-3-5-7-12-11(6-4-2)13(16)8-10(9-14)15-12/h4-8H,3,9,14H2,1-2H3,(H,15,16)/b6-4-,7-5-
InChIKeyUIYXFICSBNBUTE-PEPZGXQESA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds4

About 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one

6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one (PubChem CID 145351221) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one
PubChem CID145351221
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one
SMILESC/C=C\c1c(/C=C\CC)[nH]c(CN)cc1=O
InChIInChI=1S/C13H18N2O/c1-3-5-7-12-11(6-4-2)13(16)8-10(9-14)15-12/h4-8H,3,9,14H2,1-2H3,(H,15,16)/b6-4-,7-5-
InChIKeyUIYXFICSBNBUTE-PEPZGXQESA-N
XLogP2.29
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one?
The IUPAC name of 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one (CID 145351221) is 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one.
What is the SMILES notation for 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one?
The canonical SMILES for 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one is C/C=C\c1c(/C=C\CC)[nH]c(CN)cc1=O.
What is the InChIKey of 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one?
The InChIKey is UIYXFICSBNBUTE-PEPZGXQESA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-7-12-11(6-4-2)13(16)8-10(9-14)15-12/h4-8H,3,9,14H2,1-2H3,(H,15,16)/b6-4-,7-5-.
What are the key properties of 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one?
6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one has a molecular weight of 218.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]-1H-pyridin-4-one is sourced from PubChem (CID 145351221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).