4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride

C7H12Cl2N2O — CID 134691073

IUPAC4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.NCCc1cc[nH]c(=O)c1
InChIInChI=1S/C7H10N2O.2ClH/c8-3-1-6-2-4-9-7(10)5-6;;/h2,4-5H,1,3,8H2,(H,9,10);2*1H
InChIKeySMGXZMBKKOVDRW-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.72
Rot. Bonds2

About 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride

4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride (PubChem CID 134691073) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride
PubChem CID134691073
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.NCCc1cc[nH]c(=O)c1
InChIInChI=1S/C7H10N2O.2ClH/c8-3-1-6-2-4-9-7(10)5-6;;/h2,4-5H,1,3,8H2,(H,9,10);2*1H
InChIKeySMGXZMBKKOVDRW-UHFFFAOYSA-N
XLogP0.72
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride?
The IUPAC name of 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride (CID 134691073) is 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride is Cl.Cl.NCCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride?
The InChIKey is SMGXZMBKKOVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-3-1-6-2-4-9-7(10)5-6;;/h2,4-5H,1,3,8H2,(H,9,10);2*1H.
What are the key properties of 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride?
4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride is sourced from PubChem (CID 134691073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).