1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one

C13H23N3O2 — CID 3018366

IUPAC1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCCN1CCCC1=O
InChIInChI=1S/C13H23N3O2/c17-12-4-1-8-15(12)10-3-6-14-7-11-16-9-2-5-13(16)18/h14H,1-11H2
InChIKeyMUCSTYUPDPKVFF-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds7

About 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one

1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 3018366) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID3018366
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCCN1CCCC1=O
InChIInChI=1S/C13H23N3O2/c17-12-4-1-8-15(12)10-3-6-14-7-11-16-9-2-5-13(16)18/h14H,1-11H2
InChIKeyMUCSTYUPDPKVFF-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one (CID 3018366) is 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCCN1CCCC1=O.
What is the InChIKey of 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is MUCSTYUPDPKVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-12-4-1-8-15(12)10-3-6-14-7-11-16-9-2-5-13(16)18/h14H,1-11H2.
What are the key properties of 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one?
1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 3018366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).