1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride

C6H13ClN2O — CID 3022039

IUPAC1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCCN1CCCC1=O
InChIInChI=1S/C6H12N2O.ClH/c7-3-5-8-4-1-2-6(8)9;/h1-5,7H2;1H
InChIKeyMDISFSCSRZPYDO-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.01
Rot. Bonds2

About 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride

1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride (PubChem CID 3022039) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride
PubChem CID3022039
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCCN1CCCC1=O
InChIInChI=1S/C6H12N2O.ClH/c7-3-5-8-4-1-2-6(8)9;/h1-5,7H2;1H
InChIKeyMDISFSCSRZPYDO-UHFFFAOYSA-N
XLogP-0.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride (CID 3022039) is 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride is Cl.NCCN1CCCC1=O.
What is the InChIKey of 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is MDISFSCSRZPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c7-3-5-8-4-1-2-6(8)9;/h1-5,7H2;1H.
What are the key properties of 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride?
1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 3022039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).