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

C10H16N2O4 — CID 175945779

IUPACN,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
SMILESCNC(=O)C1NC(=O)C2(C)OC(C)(C)OC12
InChIInChI=1S/C10H16N2O4/c1-9(2)15-6-5(7(13)11-4)12-8(14)10(6,3)16-9/h5-6H,1-4H3,(H,11,13)(H,12,14)
InChIKeyMMNARQKYXYGFJI-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.86
Rot. Bonds1

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

N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide (PubChem CID 175945779) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide.

Molecular Properties

Compound NameN,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
PubChem CID175945779
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
SMILESCNC(=O)C1NC(=O)C2(C)OC(C)(C)OC12
InChIInChI=1S/C10H16N2O4/c1-9(2)15-6-5(7(13)11-4)12-8(14)10(6,3)16-9/h5-6H,1-4H3,(H,11,13)(H,12,14)
InChIKeyMMNARQKYXYGFJI-UHFFFAOYSA-N
XLogP-0.86
TPSA76.66 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 ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The IUPAC name of N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide (CID 175945779) is N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide.
What is the SMILES notation for N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The canonical SMILES for N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide is CNC(=O)C1NC(=O)C2(C)OC(C)(C)OC12.
What is the InChIKey of N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The InChIKey is MMNARQKYXYGFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-9(2)15-6-5(7(13)11-4)12-8(14)10(6,3)16-9/h5-6H,1-4H3,(H,11,13)(H,12,14).
What are the key properties of N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,3a-tetramethyl-4-oxo-6,6a-dihydro-5H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide is sourced from PubChem (CID 175945779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).