N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide

C13H22N2O — CID 21383093

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NC1CC2CCC1C2
InChIInChI=1S/C13H22N2O/c16-13(9-15-5-1-2-6-15)14-12-8-10-3-4-11(12)7-10/h10-12H,1-9H2,(H,14,16)
InChIKeyCPJZYMVBBQZKDH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 21383093) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide
PubChem CID21383093
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NC1CC2CCC1C2
InChIInChI=1S/C13H22N2O/c16-13(9-15-5-1-2-6-15)14-12-8-10-3-4-11(12)7-10/h10-12H,1-9H2,(H,14,16)
InChIKeyCPJZYMVBBQZKDH-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide (CID 21383093) is N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is CPJZYMVBBQZKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(9-15-5-1-2-6-15)14-12-8-10-3-4-11(12)7-10/h10-12H,1-9H2,(H,14,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 222.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 21383093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).