2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one

C10H14N2O — CID 105437583

IUPAC2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one
SMILESNC1(CCc2cc(=O)cc[nH]2)CC1
InChIInChI=1S/C10H14N2O/c11-10(4-5-10)3-1-8-7-9(13)2-6-12-8/h2,6-7H,1,3-5,11H2,(H,12,13)
InChIKeyCDXLAIRIYFLXHJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.80
Rot. Bonds3

About 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one

2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one (PubChem CID 105437583) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one
PubChem CID105437583
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one
SMILESNC1(CCc2cc(=O)cc[nH]2)CC1
InChIInChI=1S/C10H14N2O/c11-10(4-5-10)3-1-8-7-9(13)2-6-12-8/h2,6-7H,1,3-5,11H2,(H,12,13)
InChIKeyCDXLAIRIYFLXHJ-UHFFFAOYSA-N
XLogP0.80
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(1-aminocyclopropyl)ethyl]-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

Related Compounds

2-Cyclopropylpyridin-4-ol
CID 45787866
2-butyl-1H-pyridin-4-one
CID 53846979
2-pentyl-1H-pyridin-4-one
CID 57107740
2-[(2R)-3-amino-2-methylpropyl]-1H-pyridin-4-one
CID 134249515
2-(3-methyl-2-oxobutyl)-1H-pyridin-4-one
CID 141674498
2-cyclopropyl-5-propan-2-yl-1H-pyridin-4-one
CID 155130563
2-(3-methylbutyl)-1H-pyridin-4-one
CID 156201982
2-(azepan-4-ylmethyl)-1H-pyridin-4-one
CID 174635902
4-Pyridinol,2-cyclobutyl-
CID 45787876
4-Hydroxy-2-(cyclohexyl)pyridine
CID 45787879
4-Hydroxy-2-(cyclopentyl)pyridine
CID 66521130
4-Hydroxy-6-(piperidin-3-yl)pyridine
CID 82653957

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one?
The IUPAC name of 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one (CID 105437583) is 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one is NC1(CCc2cc(=O)cc[nH]2)CC1.
What is the InChIKey of 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one?
The InChIKey is CDXLAIRIYFLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-10(4-5-10)3-1-8-7-9(13)2-6-12-8/h2,6-7H,1,3-5,11H2,(H,12,13).
What are the key properties of 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one?
2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one has a molecular weight of 178.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminocyclopropyl)ethyl]-1H-pyridin-4-one is sourced from PubChem (CID 105437583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).