5,5-dimethyloxolane-3-carboxamide

C7H13NO2 — CID 170538444

IUPAC5,5-dimethyloxolane-3-carboxamide
SMILESCC1(C)CC(C(N)=O)CO1
InChIInChI=1S/C7H13NO2/c1-7(2)3-5(4-10-7)6(8)9/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyMIYKNBPVAFWCNE-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds1

About 5,5-dimethyloxolane-3-carboxamide

5,5-dimethyloxolane-3-carboxamide (PubChem CID 170538444) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5,5-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound Name5,5-dimethyloxolane-3-carboxamide
PubChem CID170538444
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5,5-dimethyloxolane-3-carboxamide
SMILESCC1(C)CC(C(N)=O)CO1
InChIInChI=1S/C7H13NO2/c1-7(2)3-5(4-10-7)6(8)9/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyMIYKNBPVAFWCNE-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyloxolane-3-carboxamide?
The IUPAC name of 5,5-dimethyloxolane-3-carboxamide (CID 170538444) is 5,5-dimethyloxolane-3-carboxamide.
What is the SMILES notation for 5,5-dimethyloxolane-3-carboxamide?
The canonical SMILES for 5,5-dimethyloxolane-3-carboxamide is CC1(C)CC(C(N)=O)CO1.
What is the InChIKey of 5,5-dimethyloxolane-3-carboxamide?
The InChIKey is MIYKNBPVAFWCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)3-5(4-10-7)6(8)9/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 5,5-dimethyloxolane-3-carboxamide?
5,5-dimethyloxolane-3-carboxamide has a molecular weight of 143.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 170538444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).