4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride

C6H13ClN2O — CID 118295348

IUPAC4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCCC1CNC(=O)C1
InChIInChI=1S/C6H12N2O.ClH/c7-2-1-5-3-6(9)8-4-5;/h5H,1-4,7H2,(H,8,9);1H
InChIKeyPBUQCWVYVMDXKU-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.11
Rot. Bonds2

About 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride

4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride (PubChem CID 118295348) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride
PubChem CID118295348
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCCC1CNC(=O)C1
InChIInChI=1S/C6H12N2O.ClH/c7-2-1-5-3-6(9)8-4-5;/h5H,1-4,7H2,(H,8,9);1H
InChIKeyPBUQCWVYVMDXKU-UHFFFAOYSA-N
XLogP-0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride (CID 118295348) is 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride is Cl.NCCC1CNC(=O)C1.
What is the InChIKey of 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is PBUQCWVYVMDXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c7-2-1-5-3-6(9)8-4-5;/h5H,1-4,7H2,(H,8,9);1H.
What are the key properties of 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride?
4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 118295348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).