2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide

C13H20N2O2 — CID 126825569

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide
SMILESO=C(CC1CC2CCC1C2)NC1CCNC1=O
InChIInChI=1S/C13H20N2O2/c16-12(15-11-3-4-14-13(11)17)7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H,14,17)(H,15,16)
InChIKeyCKRIPRISJZKDEI-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.82
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide (PubChem CID 126825569) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide
PubChem CID126825569
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide
SMILESO=C(CC1CC2CCC1C2)NC1CCNC1=O
InChIInChI=1S/C13H20N2O2/c16-12(15-11-3-4-14-13(11)17)7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H,14,17)(H,15,16)
InChIKeyCKRIPRISJZKDEI-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide (CID 126825569) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide is O=C(CC1CC2CCC1C2)NC1CCNC1=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide?
The InChIKey is CKRIPRISJZKDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12(15-11-3-4-14-13(11)17)7-10-6-8-1-2-9(10)5-8/h8-11H,1-7H2,(H,14,17)(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 126825569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).