cycloheptyl azetidine-2-carboxylate

C11H19NO2 — CID 131025825

IUPACcycloheptyl azetidine-2-carboxylate
SMILESO=C(OC1CCCCCC1)C1CCN1
InChIInChI=1S/C11H19NO2/c13-11(10-7-8-12-10)14-9-5-3-1-2-4-6-9/h9-10,12H,1-8H2
InChIKeyHQLKAPYWTTZPPJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds2

About cycloheptyl azetidine-2-carboxylate

cycloheptyl azetidine-2-carboxylate (PubChem CID 131025825) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cycloheptyl azetidine-2-carboxylate.

Molecular Properties

Compound Namecycloheptyl azetidine-2-carboxylate
PubChem CID131025825
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecycloheptyl azetidine-2-carboxylate
SMILESO=C(OC1CCCCCC1)C1CCN1
InChIInChI=1S/C11H19NO2/c13-11(10-7-8-12-10)14-9-5-3-1-2-4-6-9/h9-10,12H,1-8H2
InChIKeyHQLKAPYWTTZPPJ-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl azetidine-2-carboxylate?
The IUPAC name of cycloheptyl azetidine-2-carboxylate (CID 131025825) is cycloheptyl azetidine-2-carboxylate.
What is the SMILES notation for cycloheptyl azetidine-2-carboxylate?
The canonical SMILES for cycloheptyl azetidine-2-carboxylate is O=C(OC1CCCCCC1)C1CCN1.
What is the InChIKey of cycloheptyl azetidine-2-carboxylate?
The InChIKey is HQLKAPYWTTZPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(10-7-8-12-10)14-9-5-3-1-2-4-6-9/h9-10,12H,1-8H2.
What are the key properties of cycloheptyl azetidine-2-carboxylate?
cycloheptyl azetidine-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl azetidine-2-carboxylate is sourced from PubChem (CID 131025825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).