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

C10H16N2O2 — CID 63013650

IUPACN-(2-cyanopropan-2-yl)oxane-3-carboxamide
SMILESCC(C)(C#N)NC(=O)C1CCCOC1
InChIInChI=1S/C10H16N2O2/c1-10(2,7-11)12-9(13)8-4-3-5-14-6-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyGNTTZUIZNBEQTD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds2

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

N-(2-cyanopropan-2-yl)oxane-3-carboxamide (PubChem CID 63013650) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)oxane-3-carboxamide
PubChem CID63013650
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2-cyanopropan-2-yl)oxane-3-carboxamide
SMILESCC(C)(C#N)NC(=O)C1CCCOC1
InChIInChI=1S/C10H16N2O2/c1-10(2,7-11)12-9(13)8-4-3-5-14-6-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyGNTTZUIZNBEQTD-UHFFFAOYSA-N
XLogP0.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)oxane-3-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)oxane-3-carboxamide (CID 63013650) is N-(2-cyanopropan-2-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)oxane-3-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)oxane-3-carboxamide is CC(C)(C#N)NC(=O)C1CCCOC1.
What is the InChIKey of N-(2-cyanopropan-2-yl)oxane-3-carboxamide?
The InChIKey is GNTTZUIZNBEQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,7-11)12-9(13)8-4-3-5-14-6-8/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2-cyanopropan-2-yl)oxane-3-carboxamide?
N-(2-cyanopropan-2-yl)oxane-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)oxane-3-carboxamide is sourced from PubChem (CID 63013650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).