3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide

C11H16N2O2 — CID 130284996

IUPAC3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide
SMILESN#CC1CCCC(C(=O)NC2COC2)C1
InChIInChI=1S/C11H16N2O2/c12-5-8-2-1-3-9(4-8)11(14)13-10-6-15-7-10/h8-10H,1-4,6-7H2,(H,13,14)
InChIKeySKEQKIOXBKHAGX-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.83
Rot. Bonds2

About 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide

3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide (PubChem CID 130284996) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide
PubChem CID130284996
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide
SMILESN#CC1CCCC(C(=O)NC2COC2)C1
InChIInChI=1S/C11H16N2O2/c12-5-8-2-1-3-9(4-8)11(14)13-10-6-15-7-10/h8-10H,1-4,6-7H2,(H,13,14)
InChIKeySKEQKIOXBKHAGX-UHFFFAOYSA-N
XLogP0.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-N-tert-butyl-3-cyanocyclohexane-1-carboxamide
CID 130284939
3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide
CID 130286029
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927
trans-(1R,3R)-3-cyanocyclohexane-1-carboxamide
CID 89420960
3-acetylcyclohexane-1-carbonitrile
CID 118513837
lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide
CID 175765864
(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 81134235
3-methyl-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 164660348
N-(oxolan-3-yl)cyclohexanecarboxamide
CID 110868779
3-(oxan-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 55235400
2-methyl-N-(oxetan-3-yl)cyclopentane-1-carboxamide
CID 107180280
N-cyclopentylcyclobutanecarboxamide
CID 21158774

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide (CID 130284996) is 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide is N#CC1CCCC(C(=O)NC2COC2)C1.
What is the InChIKey of 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is SKEQKIOXBKHAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-5-8-2-1-3-9(4-8)11(14)13-10-6-15-7-10/h8-10H,1-4,6-7H2,(H,13,14).
What are the key properties of 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide?
3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130284996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).