5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride

C6H14Cl2N2O — CID 171329412

IUPAC5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NCCC1CCC(=O)N1
InChIInChI=1S/C6H12N2O.2ClH/c7-4-3-5-1-2-6(9)8-5;;/h5H,1-4,7H2,(H,8,9);2*1H
InChIKeyDAKIRQLWSXBHJN-UHFFFAOYSA-N
MW201.10 g/mol
LogP0.46
Rot. Bonds2

About 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride

5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride (PubChem CID 171329412) has the molecular formula C6H14Cl2N2O and a molecular weight of 201.10 g/mol. Its IUPAC name is 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride
PubChem CID171329412
Molecular FormulaC6H14Cl2N2O
Molecular Weight201.10 g/mol
Exact Mass200.05
IUPAC Name5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NCCC1CCC(=O)N1
InChIInChI=1S/C6H12N2O.2ClH/c7-4-3-5-1-2-6(9)8-5;;/h5H,1-4,7H2,(H,8,9);2*1H
InChIKeyDAKIRQLWSXBHJN-UHFFFAOYSA-N
XLogP0.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride (CID 171329412) is 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride is Cl.Cl.NCCC1CCC(=O)N1.
What is the InChIKey of 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride?
The InChIKey is DAKIRQLWSXBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.2ClH/c7-4-3-5-1-2-6(9)8-5;;/h5H,1-4,7H2,(H,8,9);2*1H.
What are the key properties of 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride?
5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride has a molecular weight of 201.10 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 171329412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).