N-(1-cyanocyclopropyl)cyclohexanecarboxamide

C11H16N2O — CID 68559496

IUPACN-(1-cyanocyclopropyl)cyclohexanecarboxamide
SMILESN#CC1(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C11H16N2O/c12-8-11(6-7-11)13-10(14)9-4-2-1-3-5-9/h9H,1-7H2,(H,13,14)
InChIKeyNBJSZOLFWBVKSS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.74
Rot. Bonds2

About N-(1-cyanocyclopropyl)cyclohexanecarboxamide

N-(1-cyanocyclopropyl)cyclohexanecarboxamide (PubChem CID 68559496) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)cyclohexanecarboxamide
PubChem CID68559496
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(1-cyanocyclopropyl)cyclohexanecarboxamide
SMILESN#CC1(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C11H16N2O/c12-8-11(6-7-11)13-10(14)9-4-2-1-3-5-9/h9H,1-7H2,(H,13,14)
InChIKeyNBJSZOLFWBVKSS-UHFFFAOYSA-N
XLogP1.74
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)cyclohexanecarboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)cyclohexanecarboxamide (CID 68559496) is N-(1-cyanocyclopropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)cyclohexanecarboxamide is N#CC1(NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)cyclohexanecarboxamide?
The InChIKey is NBJSZOLFWBVKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-8-11(6-7-11)13-10(14)9-4-2-1-3-5-9/h9H,1-7H2,(H,13,14).
What are the key properties of N-(1-cyanocyclopropyl)cyclohexanecarboxamide?
N-(1-cyanocyclopropyl)cyclohexanecarboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)cyclohexanecarboxamide is sourced from PubChem (CID 68559496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).