3-aminopyrrolidin-2-one

C4H8N2O — CID 10486805

IUPAC3-aminopyrrolidin-2-one
SMILESNC1CCNC1=O
InChIInChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)
InChIKeyYNDAMDVOGKACTP-UHFFFAOYSA-N
MW100.12 g/mol
LogP-1.17
Rot. Bonds

About 3-aminopyrrolidin-2-one

3-aminopyrrolidin-2-one (PubChem CID 10486805) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-aminopyrrolidin-2-one.

Molecular Properties

Compound Name3-aminopyrrolidin-2-one
PubChem CID10486805
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-aminopyrrolidin-2-one
SMILESNC1CCNC1=O
InChIInChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)
InChIKeyYNDAMDVOGKACTP-UHFFFAOYSA-N
XLogP-1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyrrolidin-2-one?
The IUPAC name of 3-aminopyrrolidin-2-one (CID 10486805) is 3-aminopyrrolidin-2-one.
What is the SMILES notation for 3-aminopyrrolidin-2-one?
The canonical SMILES for 3-aminopyrrolidin-2-one is NC1CCNC1=O.
What is the InChIKey of 3-aminopyrrolidin-2-one?
The InChIKey is YNDAMDVOGKACTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7).
What are the key properties of 3-aminopyrrolidin-2-one?
3-aminopyrrolidin-2-one has a molecular weight of 100.12 g/mol, XLogP of -1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrrolidin-2-one is sourced from PubChem (CID 10486805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).