1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide

C12H16N2O2 — CID 80602403

IUPAC1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC2CC3CCC2O3)CCC1
InChIInChI=1S/C12H16N2O2/c13-7-12(4-1-5-12)11(15)14-9-6-8-2-3-10(9)16-8/h8-10H,1-6H2,(H,14,15)
InChIKeyMFDMHNIAMVRXCJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.12
Rot. Bonds2

About 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide

1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide (PubChem CID 80602403) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
PubChem CID80602403
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC2CC3CCC2O3)CCC1
InChIInChI=1S/C12H16N2O2/c13-7-12(4-1-5-12)11(15)14-9-6-8-2-3-10(9)16-8/h8-10H,1-6H2,(H,14,15)
InChIKeyMFDMHNIAMVRXCJ-UHFFFAOYSA-N
XLogP1.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide (CID 80602403) is 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide is N#CC1(C(=O)NC2CC3CCC2O3)CCC1.
What is the InChIKey of 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is MFDMHNIAMVRXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-12(4-1-5-12)11(15)14-9-6-8-2-3-10(9)16-8/h8-10H,1-6H2,(H,14,15).
What are the key properties of 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80602403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).