4-pyrrolidin-3-ylpyrrolidin-2-one

C8H14N2O — CID 105430115

IUPAC4-pyrrolidin-3-ylpyrrolidin-2-one
SMILESO=C1CC(C2CCNC2)CN1
InChIInChI=1S/C8H14N2O/c11-8-3-7(5-10-8)6-1-2-9-4-6/h6-7,9H,1-5H2,(H,10,11)
InChIKeySRRXLJUJIQUHGZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.27
Rot. Bonds1

About 4-pyrrolidin-3-ylpyrrolidin-2-one

4-pyrrolidin-3-ylpyrrolidin-2-one (PubChem CID 105430115) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-pyrrolidin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-pyrrolidin-3-ylpyrrolidin-2-one
PubChem CID105430115
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-pyrrolidin-3-ylpyrrolidin-2-one
SMILESO=C1CC(C2CCNC2)CN1
InChIInChI=1S/C8H14N2O/c11-8-3-7(5-10-8)6-1-2-9-4-6/h6-7,9H,1-5H2,(H,10,11)
InChIKeySRRXLJUJIQUHGZ-UHFFFAOYSA-N
XLogP-0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-ylpyrrolidin-2-one?
The IUPAC name of 4-pyrrolidin-3-ylpyrrolidin-2-one (CID 105430115) is 4-pyrrolidin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 4-pyrrolidin-3-ylpyrrolidin-2-one?
The canonical SMILES for 4-pyrrolidin-3-ylpyrrolidin-2-one is O=C1CC(C2CCNC2)CN1.
What is the InChIKey of 4-pyrrolidin-3-ylpyrrolidin-2-one?
The InChIKey is SRRXLJUJIQUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-3-7(5-10-8)6-1-2-9-4-6/h6-7,9H,1-5H2,(H,10,11).
What are the key properties of 4-pyrrolidin-3-ylpyrrolidin-2-one?
4-pyrrolidin-3-ylpyrrolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 105430115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).