1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone

C12H19NO — CID 20678663

IUPAC1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone
SMILESCC(=O)C1CC2(CN1)CC1CCC2C1
InChIInChI=1S/C12H19NO/c1-8(14)11-6-12(7-13-11)5-9-2-3-10(12)4-9/h9-11,13H,2-7H2,1H3
InChIKeyXIDGOQIOWVKLBJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.74
Rot. Bonds1

About 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone

1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone (PubChem CID 20678663) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone.

Molecular Properties

Compound Name1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone
PubChem CID20678663
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone
SMILESCC(=O)C1CC2(CN1)CC1CCC2C1
InChIInChI=1S/C12H19NO/c1-8(14)11-6-12(7-13-11)5-9-2-3-10(12)4-9/h9-11,13H,2-7H2,1H3
InChIKeyXIDGOQIOWVKLBJ-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone?
The IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone (CID 20678663) is 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone.
What is the SMILES notation for 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone?
The canonical SMILES for 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone is CC(=O)C1CC2(CN1)CC1CCC2C1.
What is the InChIKey of 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone?
The InChIKey is XIDGOQIOWVKLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(14)11-6-12(7-13-11)5-9-2-3-10(12)4-9/h9-11,13H,2-7H2,1H3.
What are the key properties of 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone?
1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone has a molecular weight of 193.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[bicyclo[2.2.1]heptane-2,4'-pyrrolidine]-2'-ylethanone is sourced from PubChem (CID 20678663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).