3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one

C8H12N2O — CID 592358

IUPAC3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(N2CCCC2)CN1
InChIInChI=1S/C8H12N2O/c11-8-5-7(6-9-8)10-3-1-2-4-10/h5H,1-4,6H2,(H,9,11)
InChIKeyMFTBNFKIZLZXJP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.10
Rot. Bonds1

About 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one

3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one (PubChem CID 592358) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one
PubChem CID592358
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(N2CCCC2)CN1
InChIInChI=1S/C8H12N2O/c11-8-5-7(6-9-8)10-3-1-2-4-10/h5H,1-4,6H2,(H,9,11)
InChIKeyMFTBNFKIZLZXJP-UHFFFAOYSA-N
XLogP0.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one (CID 592358) is 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one is O=C1C=C(N2CCCC2)CN1.
What is the InChIKey of 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one?
The InChIKey is MFTBNFKIZLZXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-5-7(6-9-8)10-3-1-2-4-10/h5H,1-4,6H2,(H,9,11).
What are the key properties of 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one?
3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one has a molecular weight of 152.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 592358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).