4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide

C6H8N2O4 — CID 175747848

IUPAC4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
SMILESNC(=O)C1NC(=O)C2OCOC12
InChIInChI=1S/C6H8N2O4/c7-5(9)2-3-4(6(10)8-2)12-1-11-3/h2-4H,1H2,(H2,7,9)(H,8,10)
InChIKeyXCPCSZDJQBPBSP-UHFFFAOYSA-N
MW172.14 g/mol
LogP-2.29
Rot. Bonds1

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

4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide (PubChem CID 175747848) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide.

Molecular Properties

Compound Name4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
PubChem CID175747848
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
SMILESNC(=O)C1NC(=O)C2OCOC12
InChIInChI=1S/C6H8N2O4/c7-5(9)2-3-4(6(10)8-2)12-1-11-3/h2-4H,1H2,(H2,7,9)(H,8,10)
InChIKeyXCPCSZDJQBPBSP-UHFFFAOYSA-N
XLogP-2.29
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The IUPAC name of 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide (CID 175747848) is 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide.
What is the SMILES notation for 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The canonical SMILES for 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide is NC(=O)C1NC(=O)C2OCOC12.
What is the InChIKey of 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The InChIKey is XCPCSZDJQBPBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c7-5(9)2-3-4(6(10)8-2)12-1-11-3/h2-4H,1H2,(H2,7,9)(H,8,10).
What are the key properties of 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide has a molecular weight of 172.14 g/mol, XLogP of -2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide is sourced from PubChem (CID 175747848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).