1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide

C11H15FN2O — CID 126773685

IUPAC1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCC(F)C2)CCC1
InChIInChI=1S/C11H15FN2O/c12-8-2-3-9(6-8)14-10(15)11(7-13)4-1-5-11/h8-9H,1-6H2,(H,14,15)
InChIKeyGTRDZEXIMIHQOX-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.69
Rot. Bonds2

About 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide

1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide (PubChem CID 126773685) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide
PubChem CID126773685
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCC(F)C2)CCC1
InChIInChI=1S/C11H15FN2O/c12-8-2-3-9(6-8)14-10(15)11(7-13)4-1-5-11/h8-9H,1-6H2,(H,14,15)
InChIKeyGTRDZEXIMIHQOX-UHFFFAOYSA-N
XLogP1.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide (CID 126773685) is 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide is N#CC1(C(=O)NC2CCC(F)C2)CCC1.
What is the InChIKey of 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide?
The InChIKey is GTRDZEXIMIHQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-8-2-3-9(6-8)14-10(15)11(7-13)4-1-5-11/h8-9H,1-6H2,(H,14,15).
What are the key properties of 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide?
1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide has a molecular weight of 210.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 126773685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).