5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one

C14H21NO3 — CID 58101977

IUPAC5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one
SMILESCCCC(=O)C1CCCC1C(=O)C1CCC(=O)N1
InChIInChI=1S/C14H21NO3/c1-2-4-12(16)9-5-3-6-10(9)14(18)11-7-8-13(17)15-11/h9-11H,2-8H2,1H3,(H,15,17)
InChIKeyQXCOLCPPIPDZNK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds5

About 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one

5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one (PubChem CID 58101977) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one
PubChem CID58101977
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one
SMILESCCCC(=O)C1CCCC1C(=O)C1CCC(=O)N1
InChIInChI=1S/C14H21NO3/c1-2-4-12(16)9-5-3-6-10(9)14(18)11-7-8-13(17)15-11/h9-11H,2-8H2,1H3,(H,15,17)
InChIKeyQXCOLCPPIPDZNK-UHFFFAOYSA-N
XLogP1.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one (CID 58101977) is 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one is CCCC(=O)C1CCCC1C(=O)C1CCC(=O)N1.
What is the InChIKey of 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one?
The InChIKey is QXCOLCPPIPDZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-4-12(16)9-5-3-6-10(9)14(18)11-7-8-13(17)15-11/h9-11H,2-8H2,1H3,(H,15,17).
What are the key properties of 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one?
5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butanoylcyclopentanecarbonyl)pyrrolidin-2-one is sourced from PubChem (CID 58101977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).