4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one

C11H15N3O — CID 141192974

IUPAC4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one
SMILESO=C1N=CC(N2CCC2)=C1N1CCCC1
InChIInChI=1S/C11H15N3O/c15-11-10(14-4-1-2-5-14)9(8-12-11)13-6-3-7-13/h8H,1-7H2
InChIKeyMWYDKHKSJLJAAK-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.61
Rot. Bonds2

About 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one

4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one (PubChem CID 141192974) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one
PubChem CID141192974
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one
SMILESO=C1N=CC(N2CCC2)=C1N1CCCC1
InChIInChI=1S/C11H15N3O/c15-11-10(14-4-1-2-5-14)9(8-12-11)13-6-3-7-13/h8H,1-7H2
InChIKeyMWYDKHKSJLJAAK-UHFFFAOYSA-N
XLogP0.61
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one?
The IUPAC name of 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one (CID 141192974) is 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one.
What is the SMILES notation for 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one?
The canonical SMILES for 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one is O=C1N=CC(N2CCC2)=C1N1CCCC1.
What is the InChIKey of 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one?
The InChIKey is MWYDKHKSJLJAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-10(14-4-1-2-5-14)9(8-12-11)13-6-3-7-13/h8H,1-7H2.
What are the key properties of 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one?
4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one is sourced from PubChem (CID 141192974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).