2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

C11H16N2O2 — CID 80602201

IUPAC2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(C)(C#N)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H16N2O2/c1-11(2,6-12)10(14)13-8-5-7-3-4-9(8)15-7/h7-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyRHIUVULCTMQGHY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.97
Rot. Bonds2

About 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 80602201) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID80602201
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(C)(C#N)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H16N2O2/c1-11(2,6-12)10(14)13-8-5-7-3-4-9(8)15-7/h7-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyRHIUVULCTMQGHY-UHFFFAOYSA-N
XLogP0.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 80602201) is 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is CC(C)(C#N)C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is RHIUVULCTMQGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,6-12)10(14)13-8-5-7-3-4-9(8)15-7/h7-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 80602201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).