4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one

C8H11N3O — CID 137277728

IUPAC4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one
SMILESCC/N=C/c1c(N)cc[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-2-10-5-6-7(9)3-4-11-8(6)12/h3-5H,2H2,1H3,(H3,9,11,12)/b10-5+
InChIKeyPIOCFFOKQCAYRW-BJMVGYQFSA-N
MW165.20 g/mol
LogP0.40
Rot. Bonds2

About 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one

4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one (PubChem CID 137277728) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one
PubChem CID137277728
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one
SMILESCC/N=C/c1c(N)cc[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-2-10-5-6-7(9)3-4-11-8(6)12/h3-5H,2H2,1H3,(H3,9,11,12)/b10-5+
InChIKeyPIOCFFOKQCAYRW-BJMVGYQFSA-N
XLogP0.40
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
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 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one (CID 137277728) is 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one is CC/N=C/c1c(N)cc[nH]c1=O.
What is the InChIKey of 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one?
The InChIKey is PIOCFFOKQCAYRW-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-10-5-6-7(9)3-4-11-8(6)12/h3-5H,2H2,1H3,(H3,9,11,12)/b10-5+.
What are the key properties of 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one?
4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 137277728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).