3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one

C10H14N2O2 — CID 167253500

IUPAC3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one
SMILESCC/C(C)=C\Oc1cc[nH]c(=O)c1N
InChIInChI=1S/C10H14N2O2/c1-3-7(2)6-14-8-4-5-12-10(13)9(8)11/h4-6H,3,11H2,1-2H3,(H,12,13)/b7-6-
InChIKeyDJGAWSGMXXFSIW-SREVYHEPSA-N
MW194.23 g/mol
LogP1.65
Rot. Bonds3

About 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one

3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one (PubChem CID 167253500) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one
PubChem CID167253500
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one
SMILESCC/C(C)=C\Oc1cc[nH]c(=O)c1N
InChIInChI=1S/C10H14N2O2/c1-3-7(2)6-14-8-4-5-12-10(13)9(8)11/h4-6H,3,11H2,1-2H3,(H,12,13)/b7-6-
InChIKeyDJGAWSGMXXFSIW-SREVYHEPSA-N
XLogP1.65
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089031
3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one
CID 164645013
3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one
CID 164644753
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
3-bromo-4-ethoxy-1H-pyridin-2-one
CID 21453478
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
3-methyl-4-pentoxy-1H-pyridin-2-one
CID 66739839
3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
3-methyl-4-propanoyl-1H-pyridin-2-one
CID 10797117
3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118991199
3-hydroxy-2-oxo-1H-pyridine-4-carboxamide
CID 67593311
3-bromo-4-methoxy-1H-pyridin-2-one
CID 119088071

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one (CID 167253500) is 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one is CC/C(C)=C\Oc1cc[nH]c(=O)c1N.
What is the InChIKey of 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one?
The InChIKey is DJGAWSGMXXFSIW-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-7(2)6-14-8-4-5-12-10(13)9(8)11/h4-6H,3,11H2,1-2H3,(H,12,13)/b7-6-.
What are the key properties of 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one?
3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one is sourced from PubChem (CID 167253500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).