4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide

C13H18N2O3 — CID 80602688

IUPAC4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
SMILESN#CC1(C(=O)NC2CC3CCC2O3)CCOCC1
InChIInChI=1S/C13H18N2O3/c14-8-13(3-5-17-6-4-13)12(16)15-10-7-9-1-2-11(10)18-9/h9-11H,1-7H2,(H,15,16)
InChIKeyRTZHINPWIRXXGH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.74
Rot. Bonds2

About 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide

4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide (PubChem CID 80602688) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
PubChem CID80602688
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
SMILESN#CC1(C(=O)NC2CC3CCC2O3)CCOCC1
InChIInChI=1S/C13H18N2O3/c14-8-13(3-5-17-6-4-13)12(16)15-10-7-9-1-2-11(10)18-9/h9-11H,1-7H2,(H,15,16)
InChIKeyRTZHINPWIRXXGH-UHFFFAOYSA-N
XLogP0.74
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide (CID 80602688) is 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide is N#CC1(C(=O)NC2CC3CCC2O3)CCOCC1.
What is the InChIKey of 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide?
The InChIKey is RTZHINPWIRXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-8-13(3-5-17-6-4-13)12(16)15-10-7-9-1-2-11(10)18-9/h9-11H,1-7H2,(H,15,16).
What are the key properties of 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide?
4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 80602688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).