2,4,5-trimethyloxolane-3-carboxamide

C8H15NO2 — CID 65155193

IUPAC2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(N)=O)C1C
InChIInChI=1S/C8H15NO2/c1-4-5(2)11-6(3)7(4)8(9)10/h4-7H,1-3H3,(H2,9,10)
InChIKeyXYUBEQJOFDSZAW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds1

About 2,4,5-trimethyloxolane-3-carboxamide

2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65155193) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65155193
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(N)=O)C1C
InChIInChI=1S/C8H15NO2/c1-4-5(2)11-6(3)7(4)8(9)10/h4-7H,1-3H3,(H2,9,10)
InChIKeyXYUBEQJOFDSZAW-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of 2,4,5-trimethyloxolane-3-carboxamide (CID 65155193) is 2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(N)=O)C1C.
What is the InChIKey of 2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is XYUBEQJOFDSZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5(2)11-6(3)7(4)8(9)10/h4-7H,1-3H3,(H2,9,10).
What are the key properties of 2,4,5-trimethyloxolane-3-carboxamide?
2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 157.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65155193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).