3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride

C7H11ClN2O — CID 138455106

IUPAC3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
SMILESCC(N)c1ccc[nH]c1=O.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5(8)6-3-2-4-9-7(6)10;/h2-5H,8H2,1H3,(H,9,10);1H
InChIKeySQNIMQKNMYXXDZ-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.82
Rot. Bonds1

About 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride

3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 138455106) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
PubChem CID138455106
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
SMILESCC(N)c1ccc[nH]c1=O.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5(8)6-3-2-4-9-7(6)10;/h2-5H,8H2,1H3,(H,9,10);1H
InChIKeySQNIMQKNMYXXDZ-UHFFFAOYSA-N
XLogP0.82
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride (CID 138455106) is 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride is CC(N)c1ccc[nH]c1=O.Cl.
What is the InChIKey of 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is SQNIMQKNMYXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-5(8)6-3-2-4-9-7(6)10;/h2-5H,8H2,1H3,(H,9,10);1H.
What are the key properties of 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride?
3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 138455106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).