1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide

C13H20N2O2 — CID 80598483

IUPAC1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)N(C)C2CCOCC2)C1
InChIInChI=1S/C13H20N2O2/c1-10-7-13(8-10,9-14)12(16)15(2)11-3-5-17-6-4-11/h10-11H,3-8H2,1-2H3
InChIKeyROYMGRHPQUVCHH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds2

About 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide

1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide (PubChem CID 80598483) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide
PubChem CID80598483
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)N(C)C2CCOCC2)C1
InChIInChI=1S/C13H20N2O2/c1-10-7-13(8-10,9-14)12(16)15(2)11-3-5-17-6-4-11/h10-11H,3-8H2,1-2H3
InChIKeyROYMGRHPQUVCHH-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide (CID 80598483) is 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)N(C)C2CCOCC2)C1.
What is the InChIKey of 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide?
The InChIKey is ROYMGRHPQUVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-7-13(8-10,9-14)12(16)15(2)11-3-5-17-6-4-11/h10-11H,3-8H2,1-2H3.
What are the key properties of 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide?
1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80598483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).