N-(2-cyanobutan-2-yl)oxane-3-carboxamide

C11H18N2O2 — CID 63013997

IUPACN-(2-cyanobutan-2-yl)oxane-3-carboxamide
SMILESCCC(C)(C#N)NC(=O)C1CCCOC1
InChIInChI=1S/C11H18N2O2/c1-3-11(2,8-12)13-10(14)9-5-4-6-15-7-9/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyCIWHHHDGVOXSSU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds3

About N-(2-cyanobutan-2-yl)oxane-3-carboxamide

N-(2-cyanobutan-2-yl)oxane-3-carboxamide (PubChem CID 63013997) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)oxane-3-carboxamide
PubChem CID63013997
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(2-cyanobutan-2-yl)oxane-3-carboxamide
SMILESCCC(C)(C#N)NC(=O)C1CCCOC1
InChIInChI=1S/C11H18N2O2/c1-3-11(2,8-12)13-10(14)9-5-4-6-15-7-9/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyCIWHHHDGVOXSSU-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)oxane-3-carboxamide?
The IUPAC name of N-(2-cyanobutan-2-yl)oxane-3-carboxamide (CID 63013997) is N-(2-cyanobutan-2-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)oxane-3-carboxamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)oxane-3-carboxamide is CCC(C)(C#N)NC(=O)C1CCCOC1.
What is the InChIKey of N-(2-cyanobutan-2-yl)oxane-3-carboxamide?
The InChIKey is CIWHHHDGVOXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-11(2,8-12)13-10(14)9-5-4-6-15-7-9/h9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-cyanobutan-2-yl)oxane-3-carboxamide?
N-(2-cyanobutan-2-yl)oxane-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)oxane-3-carboxamide is sourced from PubChem (CID 63013997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).