1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C13H20N2O2 — CID 61459221

IUPAC1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCCO2)CCCCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-2-1-3-7-13)12(16)15-9-11-5-4-8-17-11/h11H,1-9H2,(H,15,16)
InChIKeyLSOHWBAOZALJPD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds3

About 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 61459221) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID61459221
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCCO2)CCCCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-2-1-3-7-13)12(16)15-9-11-5-4-8-17-11/h11H,1-9H2,(H,15,16)
InChIKeyLSOHWBAOZALJPD-UHFFFAOYSA-N
XLogP1.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 61459221) is 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)NCC2CCCO2)CCCCC1.
What is the InChIKey of 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is LSOHWBAOZALJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-10-13(6-2-1-3-7-13)12(16)15-9-11-5-4-8-17-11/h11H,1-9H2,(H,15,16).
What are the key properties of 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61459221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).