2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide

C10H16N2O3 — CID 104709187

IUPAC2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
SMILESCOC1(CNC(=O)C(C)C#N)CCOC1
InChIInChI=1S/C10H16N2O3/c1-8(5-11)9(13)12-6-10(14-2)3-4-15-7-10/h8H,3-4,6-7H2,1-2H3,(H,12,13)
InChIKeyWTOFGSHDBLJLQR-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.07
Rot. Bonds4

About 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide

2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide (PubChem CID 104709187) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
PubChem CID104709187
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
SMILESCOC1(CNC(=O)C(C)C#N)CCOC1
InChIInChI=1S/C10H16N2O3/c1-8(5-11)9(13)12-6-10(14-2)3-4-15-7-10/h8H,3-4,6-7H2,1-2H3,(H,12,13)
InChIKeyWTOFGSHDBLJLQR-UHFFFAOYSA-N
XLogP0.07
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide (CID 104709187) is 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide is COC1(CNC(=O)C(C)C#N)CCOC1.
What is the InChIKey of 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The InChIKey is WTOFGSHDBLJLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(5-11)9(13)12-6-10(14-2)3-4-15-7-10/h8H,3-4,6-7H2,1-2H3,(H,12,13).
What are the key properties of 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide has a molecular weight of 212.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 104709187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).