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

C14H20N2O2 — CID 80602492

IUPAC1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NC2CC3CCC2O3)CCCCC1
InChIInChI=1S/C14H20N2O2/c15-9-14(6-2-1-3-7-14)13(17)16-11-8-10-4-5-12(11)18-10/h10-12H,1-8H2,(H,16,17)
InChIKeyUDWZGEJTCDPOOC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.90
Rot. Bonds2

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

1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (PubChem CID 80602492) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
PubChem CID80602492
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NC2CC3CCC2O3)CCCCC1
InChIInChI=1S/C14H20N2O2/c15-9-14(6-2-1-3-7-14)13(17)16-11-8-10-4-5-12(11)18-10/h10-12H,1-8H2,(H,16,17)
InChIKeyUDWZGEJTCDPOOC-UHFFFAOYSA-N
XLogP1.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 61459221
1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 61461784
1-cyano-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 61830385
1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide
CID 80602300
1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
CID 80602403
1-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
CID 80602493
4-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
CID 80602688
2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide
CID 80714494
4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide
CID 80714723
2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
CID 80714832
2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
CID 80714833
4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
CID 80714834

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (CID 80602492) is 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is N#CC1(C(=O)NC2CC3CCC2O3)CCCCC1.
What is the InChIKey of 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is UDWZGEJTCDPOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-9-14(6-2-1-3-7-14)13(17)16-11-8-10-4-5-12(11)18-10/h10-12H,1-8H2,(H,16,17).
What are the key properties of 1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.90, 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)cyclohexane-1-carboxamide is sourced from PubChem (CID 80602492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).