N-(1-cyanocyclohexyl)oxane-3-carboxamide

C13H20N2O2 — CID 63013830

IUPACN-(1-cyanocyclohexyl)oxane-3-carboxamide
SMILESN#CC1(NC(=O)C2CCCOC2)CCCCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-2-1-3-7-13)15-12(16)11-5-4-8-17-9-11/h11H,1-9H2,(H,15,16)
InChIKeyNBDHNPWUXUOKIJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds2

About N-(1-cyanocyclohexyl)oxane-3-carboxamide

N-(1-cyanocyclohexyl)oxane-3-carboxamide (PubChem CID 63013830) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)oxane-3-carboxamide
PubChem CID63013830
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-cyanocyclohexyl)oxane-3-carboxamide
SMILESN#CC1(NC(=O)C2CCCOC2)CCCCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-2-1-3-7-13)15-12(16)11-5-4-8-17-9-11/h11H,1-9H2,(H,15,16)
InChIKeyNBDHNPWUXUOKIJ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)oxane-3-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)oxane-3-carboxamide (CID 63013830) is N-(1-cyanocyclohexyl)oxane-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)oxane-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)oxane-3-carboxamide is N#CC1(NC(=O)C2CCCOC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)oxane-3-carboxamide?
The InChIKey is NBDHNPWUXUOKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-10-13(6-2-1-3-7-13)15-12(16)11-5-4-8-17-9-11/h11H,1-9H2,(H,15,16).
What are the key properties of N-(1-cyanocyclohexyl)oxane-3-carboxamide?
N-(1-cyanocyclohexyl)oxane-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.76, 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-3-carboxamide is sourced from PubChem (CID 63013830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).