1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide

C12H18N2O2 — CID 80592030

IUPAC1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCCCC2O)CCC1
InChIInChI=1S/C12H18N2O2/c13-8-12(6-3-7-12)11(16)14-9-4-1-2-5-10(9)15/h9-10,15H,1-7H2,(H,14,16)
InChIKeyLYHZDMTWYPYNLF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.10
Rot. Bonds2

About 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide

1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide (PubChem CID 80592030) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide
PubChem CID80592030
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCCCC2O)CCC1
InChIInChI=1S/C12H18N2O2/c13-8-12(6-3-7-12)11(16)14-9-4-1-2-5-10(9)15/h9-10,15H,1-7H2,(H,14,16)
InChIKeyLYHZDMTWYPYNLF-UHFFFAOYSA-N
XLogP1.10
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
CID 78994479
1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 164641465
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923
1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 114121545
1-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 94415546
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide
CID 104927764
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide
CID 55031136
1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide
CID 113394747
2-cyano-N-(2-hydroxycyclohexyl)acetamide
CID 62358723
N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide
CID 80592450
1-cyano-N-(1-cyclopentylethyl)cyclobutane-1-carboxamide
CID 78994521

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide (CID 80592030) is 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide is N#CC1(C(=O)NC2CCCCC2O)CCC1.
What is the InChIKey of 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide?
The InChIKey is LYHZDMTWYPYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-8-12(6-3-7-12)11(16)14-9-4-1-2-5-10(9)15/h9-10,15H,1-7H2,(H,14,16).
What are the key properties of 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80592030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).