N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide

C12H16N2O — CID 80592450

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NC2CC3CCC2C3)CC1
InChIInChI=1S/C12H16N2O/c13-7-12(3-4-12)11(15)14-10-6-8-1-2-9(10)5-8/h8-10H,1-6H2,(H,14,15)
InChIKeyLZHGUJXQCKZPOJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.59
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide (PubChem CID 80592450) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide
PubChem CID80592450
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NC2CC3CCC2C3)CC1
InChIInChI=1S/C12H16N2O/c13-7-12(3-4-12)11(15)14-10-6-8-1-2-9(10)5-8/h8-10H,1-6H2,(H,14,15)
InChIKeyLZHGUJXQCKZPOJ-UHFFFAOYSA-N
XLogP1.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide (CID 80592450) is N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide is N#CC1(C(=O)NC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide?
The InChIKey is LZHGUJXQCKZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-7-12(3-4-12)11(15)14-10-6-8-1-2-9(10)5-8/h8-10H,1-6H2,(H,14,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 80592450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).