4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one

C9H12N2O — CID 105432452

IUPAC4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one
SMILESNCc1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C9H12N2O/c10-5-6-3-8(7-1-2-7)11-9(12)4-6/h3-4,7H,1-2,5,10H2,(H,11,12)
InChIKeyRYOHDAVYEVJCQM-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.71
Rot. Bonds2

About 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one

4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one (PubChem CID 105432452) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one
PubChem CID105432452
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one
SMILESNCc1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C9H12N2O/c10-5-6-3-8(7-1-2-7)11-9(12)4-6/h3-4,7H,1-2,5,10H2,(H,11,12)
InChIKeyRYOHDAVYEVJCQM-UHFFFAOYSA-N
XLogP0.71
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
6-Cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 14677000
6-Cyclopropyl-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 67124272
4-(Aminomethyl)-6-methylpyridin-2-OL
CID 72216163
4-(2-Aminoethyl)-6-(trifluoromethyl)pyridin-2-OL
CID 72217122
6-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516161
N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide
CID 166431122
(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium
CID 7063843
6-cyclopropyl-3-methyl-1H-pyridin-2-one
CID 20641843
3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one
CID 20774830
6-cyclopropyl-1H-pyridin-2-one
CID 45787864
3-(Aminomethyl)-6-cyclopropyl-4-methyl-1,2-dihydropyridin-2-one
CID 67124109

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one (CID 105432452) is 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one is NCc1cc(C2CC2)[nH]c(=O)c1.
What is the InChIKey of 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one?
The InChIKey is RYOHDAVYEVJCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-5-6-3-8(7-1-2-7)11-9(12)4-6/h3-4,7H,1-2,5,10H2,(H,11,12).
What are the key properties of 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one?
4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one is sourced from PubChem (CID 105432452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).