2,2-dimethyloxolane-3-carboxamide

C7H13NO2 — CID 89256055

IUPAC2,2-dimethyloxolane-3-carboxamide
SMILESCC1(C)OCCC1C(N)=O
InChIInChI=1S/C7H13NO2/c1-7(2)5(6(8)9)3-4-10-7/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyGGVSCGJODGUWRH-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds1

About 2,2-dimethyloxolane-3-carboxamide

2,2-dimethyloxolane-3-carboxamide (PubChem CID 89256055) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,2-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyloxolane-3-carboxamide
PubChem CID89256055
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2,2-dimethyloxolane-3-carboxamide
SMILESCC1(C)OCCC1C(N)=O
InChIInChI=1S/C7H13NO2/c1-7(2)5(6(8)9)3-4-10-7/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyGGVSCGJODGUWRH-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 2,2-dimethyloxolane-3-carboxamide?
The IUPAC name of 2,2-dimethyloxolane-3-carboxamide (CID 89256055) is 2,2-dimethyloxolane-3-carboxamide.
What is the SMILES notation for 2,2-dimethyloxolane-3-carboxamide?
The canonical SMILES for 2,2-dimethyloxolane-3-carboxamide is CC1(C)OCCC1C(N)=O.
What is the InChIKey of 2,2-dimethyloxolane-3-carboxamide?
The InChIKey is GGVSCGJODGUWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)5(6(8)9)3-4-10-7/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 2,2-dimethyloxolane-3-carboxamide?
2,2-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 2,2-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 89256055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).