2-(5-oxopyrrolidin-2-yl)butanamide

C8H14N2O2 — CID 90190478

IUPAC2-(5-oxopyrrolidin-2-yl)butanamide
SMILESCCC(C(N)=O)C1CCC(=O)N1
InChIInChI=1S/C8H14N2O2/c1-2-5(8(9)12)6-3-4-7(11)10-6/h5-6H,2-4H2,1H3,(H2,9,12)(H,10,11)
InChIKeyMRWLKFWKPWKTRW-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.22
Rot. Bonds3

About 2-(5-oxopyrrolidin-2-yl)butanamide

2-(5-oxopyrrolidin-2-yl)butanamide (PubChem CID 90190478) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(5-oxopyrrolidin-2-yl)butanamide.

Molecular Properties

Compound Name2-(5-oxopyrrolidin-2-yl)butanamide
PubChem CID90190478
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(5-oxopyrrolidin-2-yl)butanamide
SMILESCCC(C(N)=O)C1CCC(=O)N1
InChIInChI=1S/C8H14N2O2/c1-2-5(8(9)12)6-3-4-7(11)10-6/h5-6H,2-4H2,1H3,(H2,9,12)(H,10,11)
InChIKeyMRWLKFWKPWKTRW-UHFFFAOYSA-N
XLogP-0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxopyrrolidin-2-yl)butanamide?
The IUPAC name of 2-(5-oxopyrrolidin-2-yl)butanamide (CID 90190478) is 2-(5-oxopyrrolidin-2-yl)butanamide.
What is the SMILES notation for 2-(5-oxopyrrolidin-2-yl)butanamide?
The canonical SMILES for 2-(5-oxopyrrolidin-2-yl)butanamide is CCC(C(N)=O)C1CCC(=O)N1.
What is the InChIKey of 2-(5-oxopyrrolidin-2-yl)butanamide?
The InChIKey is MRWLKFWKPWKTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-5(8(9)12)6-3-4-7(11)10-6/h5-6H,2-4H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of 2-(5-oxopyrrolidin-2-yl)butanamide?
2-(5-oxopyrrolidin-2-yl)butanamide has a molecular weight of 170.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxopyrrolidin-2-yl)butanamide is sourced from PubChem (CID 90190478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).