4-(2-oxopropyl)pyrrolidin-2-one

C7H11NO2 — CID 21337401

IUPAC4-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CC1CNC(=O)C1
InChIInChI=1S/C7H11NO2/c1-5(9)2-6-3-7(10)8-4-6/h6H,2-4H2,1H3,(H,8,10)
InChIKeyYROFOJPUXQJBMW-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.10
Rot. Bonds2

About 4-(2-oxopropyl)pyrrolidin-2-one

4-(2-oxopropyl)pyrrolidin-2-one (PubChem CID 21337401) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-oxopropyl)pyrrolidin-2-one
PubChem CID21337401
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CC1CNC(=O)C1
InChIInChI=1S/C7H11NO2/c1-5(9)2-6-3-7(10)8-4-6/h6H,2-4H2,1H3,(H,8,10)
InChIKeyYROFOJPUXQJBMW-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-oxopropyl)pyrrolidin-2-one (CID 21337401) is 4-(2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-oxopropyl)pyrrolidin-2-one is CC(=O)CC1CNC(=O)C1.
What is the InChIKey of 4-(2-oxopropyl)pyrrolidin-2-one?
The InChIKey is YROFOJPUXQJBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(9)2-6-3-7(10)8-4-6/h6H,2-4H2,1H3,(H,8,10).
What are the key properties of 4-(2-oxopropyl)pyrrolidin-2-one?
4-(2-oxopropyl)pyrrolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 21337401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).