N-(1-cyanocyclohexyl)oxane-2-carboxamide

C13H20N2O2 — CID 62213888

IUPACN-(1-cyanocyclohexyl)oxane-2-carboxamide
SMILESN#CC1(NC(=O)C2CCCCO2)CCCCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(7-3-1-4-8-13)15-12(16)11-6-2-5-9-17-11/h11H,1-9H2,(H,15,16)
InChIKeyWNLYCCCVSWBJFN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds2

About N-(1-cyanocyclohexyl)oxane-2-carboxamide

N-(1-cyanocyclohexyl)oxane-2-carboxamide (PubChem CID 62213888) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)oxane-2-carboxamide
PubChem CID62213888
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-cyanocyclohexyl)oxane-2-carboxamide
SMILESN#CC1(NC(=O)C2CCCCO2)CCCCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(7-3-1-4-8-13)15-12(16)11-6-2-5-9-17-11/h11H,1-9H2,(H,15,16)
InChIKeyWNLYCCCVSWBJFN-UHFFFAOYSA-N
XLogP1.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
CID 55023761
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide
CID 62213540
N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide
CID 62212995
N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673741
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 18229706
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 55354069
N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918975

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)oxane-2-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)oxane-2-carboxamide (CID 62213888) is N-(1-cyanocyclohexyl)oxane-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)oxane-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)oxane-2-carboxamide is N#CC1(NC(=O)C2CCCCO2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)oxane-2-carboxamide?
The InChIKey is WNLYCCCVSWBJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-10-13(7-3-1-4-8-13)15-12(16)11-6-2-5-9-17-11/h11H,1-9H2,(H,15,16).
What are the key properties of N-(1-cyanocyclohexyl)oxane-2-carboxamide?
N-(1-cyanocyclohexyl)oxane-2-carboxamide has a molecular weight of 236.31 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 N-(1-cyanocyclohexyl)oxane-2-carboxamide is sourced from PubChem (CID 62213888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).