3-(2-aminoethyl)pyrrolidin-2-one

C6H12N2O — CID 67083854

IUPAC3-(2-aminoethyl)pyrrolidin-2-one
SMILESNCCC1CCNC1=O
InChIInChI=1S/C6H12N2O/c7-3-1-5-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)
InChIKeyJJIXTXRUMSOQKZ-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.53
Rot. Bonds2

About 3-(2-aminoethyl)pyrrolidin-2-one

3-(2-aminoethyl)pyrrolidin-2-one (PubChem CID 67083854) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-(2-aminoethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)pyrrolidin-2-one
PubChem CID67083854
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-(2-aminoethyl)pyrrolidin-2-one
SMILESNCCC1CCNC1=O
InChIInChI=1S/C6H12N2O/c7-3-1-5-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)
InChIKeyJJIXTXRUMSOQKZ-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-aminoethyl)pyrrolidin-2-one (CID 67083854) is 3-(2-aminoethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-aminoethyl)pyrrolidin-2-one is NCCC1CCNC1=O.
What is the InChIKey of 3-(2-aminoethyl)pyrrolidin-2-one?
The InChIKey is JJIXTXRUMSOQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-3-1-5-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9).
What are the key properties of 3-(2-aminoethyl)pyrrolidin-2-one?
3-(2-aminoethyl)pyrrolidin-2-one has a molecular weight of 128.18 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)pyrrolidin-2-one is sourced from PubChem (CID 67083854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).