5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride

C7H11ClN2O — CID 105435949

IUPAC5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
SMILESCC(N)c1ccc(=O)[nH]c1.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5(8)6-2-3-7(10)9-4-6;/h2-5H,8H2,1H3,(H,9,10);1H
InChIKeyOZILFZYXFKZVCN-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.82
Rot. Bonds1

About 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride

5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 105435949) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
PubChem CID105435949
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
SMILESCC(N)c1ccc(=O)[nH]c1.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5(8)6-2-3-7(10)9-4-6;/h2-5H,8H2,1H3,(H,9,10);1H
InChIKeyOZILFZYXFKZVCN-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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Related Compounds

5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131115674
5-[(1S,2S)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131145454
5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 55297171
2-(6-oxo-1H-pyridin-3-yl)propanediamide
CID 173126587
5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-2-one
CID 55262975
5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
CID 55292250
5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
CID 55291962
ethane;bis(5-methyl-1H-pyridin-2-one)
CID 160548099
2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one
CID 143798753
N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
CID 114389718
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
CID 170818894

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride (CID 105435949) is 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride is CC(N)c1ccc(=O)[nH]c1.Cl.
What is the InChIKey of 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is OZILFZYXFKZVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-5(8)6-2-3-7(10)9-4-6;/h2-5H,8H2,1H3,(H,9,10);1H.
What are the key properties of 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride?
5-(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 5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 105435949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).