2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide

C10H16N2O4 — CID 169100947

IUPAC2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
SMILESCC1(C)OC2(C)C(=O)NC(C(N)=O)C2(C)O1
InChIInChI=1S/C10H16N2O4/c1-8(2)15-9(3)5(6(11)13)12-7(14)10(9,4)16-8/h5H,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFGWGWZZPZPWUBQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.73
Rot. Bonds1

About 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide

2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide (PubChem CID 169100947) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide.

Molecular Properties

Compound Name2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
PubChem CID169100947
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
SMILESCC1(C)OC2(C)C(=O)NC(C(N)=O)C2(C)O1
InChIInChI=1S/C10H16N2O4/c1-8(2)15-9(3)5(6(11)13)12-7(14)10(9,4)16-8/h5H,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFGWGWZZPZPWUBQ-UHFFFAOYSA-N
XLogP-0.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The IUPAC name of 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide (CID 169100947) is 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide.
What is the SMILES notation for 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The canonical SMILES for 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide is CC1(C)OC2(C)C(=O)NC(C(N)=O)C2(C)O1.
What is the InChIKey of 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The InChIKey is FGWGWZZPZPWUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-8(2)15-9(3)5(6(11)13)12-7(14)10(9,4)16-8/h5H,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3a,6a-tetramethyl-4-oxo-5,6-dihydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide is sourced from PubChem (CID 169100947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).