1-(2-aminoethyl)pyridin-2-one;dihydrochloride

C7H12Cl2N2O — CID 71755936

IUPAC1-(2-aminoethyl)pyridin-2-one;dihydrochloride
SMILESCl.Cl.NCCn1ccccc1=O
InChIInChI=1S/C7H10N2O.2ClH/c8-4-6-9-5-2-1-3-7(9)10;;/h1-3,5H,4,6,8H2;2*1H
InChIKeyLZIIXOLKUWUDMO-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.65
Rot. Bonds2

About 1-(2-aminoethyl)pyridin-2-one;dihydrochloride

1-(2-aminoethyl)pyridin-2-one;dihydrochloride (PubChem CID 71755936) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)pyridin-2-one;dihydrochloride
PubChem CID71755936
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name1-(2-aminoethyl)pyridin-2-one;dihydrochloride
SMILESCl.Cl.NCCn1ccccc1=O
InChIInChI=1S/C7H10N2O.2ClH/c8-4-6-9-5-2-1-3-7(9)10;;/h1-3,5H,4,6,8H2;2*1H
InChIKeyLZIIXOLKUWUDMO-UHFFFAOYSA-N
XLogP0.65
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyridin-2-one;dihydrochloride?
The IUPAC name of 1-(2-aminoethyl)pyridin-2-one;dihydrochloride (CID 71755936) is 1-(2-aminoethyl)pyridin-2-one;dihydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)pyridin-2-one;dihydrochloride?
The canonical SMILES for 1-(2-aminoethyl)pyridin-2-one;dihydrochloride is Cl.Cl.NCCn1ccccc1=O.
What is the InChIKey of 1-(2-aminoethyl)pyridin-2-one;dihydrochloride?
The InChIKey is LZIIXOLKUWUDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-4-6-9-5-2-1-3-7(9)10;;/h1-3,5H,4,6,8H2;2*1H.
What are the key properties of 1-(2-aminoethyl)pyridin-2-one;dihydrochloride?
1-(2-aminoethyl)pyridin-2-one;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyridin-2-one;dihydrochloride is sourced from PubChem (CID 71755936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).