2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide

C9H15NO4 — CID 154000292

IUPAC2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide
SMILESCC1OC2C(C(N)=O)OC(C)C2(C)O1
InChIInChI=1S/C9H15NO4/c1-4-9(3)7(13-5(2)14-9)6(12-4)8(10)11/h4-7H,1-3H3,(H2,10,11)
InChIKeyAKHITZZIHKKIQE-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.22
Rot. Bonds1

About 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide

2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide (PubChem CID 154000292) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide.

Molecular Properties

Compound Name2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide
PubChem CID154000292
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide
SMILESCC1OC2C(C(N)=O)OC(C)C2(C)O1
InChIInChI=1S/C9H15NO4/c1-4-9(3)7(13-5(2)14-9)6(12-4)8(10)11/h4-7H,1-3H3,(H2,10,11)
InChIKeyAKHITZZIHKKIQE-UHFFFAOYSA-N
XLogP-0.22
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide?
The IUPAC name of 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide (CID 154000292) is 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide.
What is the SMILES notation for 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide?
The canonical SMILES for 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide is CC1OC2C(C(N)=O)OC(C)C2(C)O1.
What is the InChIKey of 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide?
The InChIKey is AKHITZZIHKKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-9(3)7(13-5(2)14-9)6(12-4)8(10)11/h4-7H,1-3H3,(H2,10,11).
What are the key properties of 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide?
2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide has a molecular weight of 201.22 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,4-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxamide is sourced from PubChem (CID 154000292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).