2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide

C9H16N2O3 — CID 67340863

IUPAC2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
SMILESCC1(C)OC2CNC(C(N)=O)C2(C)O1
InChIInChI=1S/C9H16N2O3/c1-8(2)13-5-4-11-6(7(10)12)9(5,3)14-8/h5-6,11H,4H2,1-3H3,(H2,10,12)
InChIKeyQQNHENIHRWEBPY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.65
Rot. Bonds1

About 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide

2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide (PubChem CID 67340863) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide.

Molecular Properties

Compound Name2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
PubChem CID67340863
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
SMILESCC1(C)OC2CNC(C(N)=O)C2(C)O1
InChIInChI=1S/C9H16N2O3/c1-8(2)13-5-4-11-6(7(10)12)9(5,3)14-8/h5-6,11H,4H2,1-3H3,(H2,10,12)
InChIKeyQQNHENIHRWEBPY-UHFFFAOYSA-N
XLogP-0.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The IUPAC name of 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide (CID 67340863) is 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide.
What is the SMILES notation for 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The canonical SMILES for 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide is CC1(C)OC2CNC(C(N)=O)C2(C)O1.
What is the InChIKey of 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The InChIKey is QQNHENIHRWEBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-8(2)13-5-4-11-6(7(10)12)9(5,3)14-8/h5-6,11H,4H2,1-3H3,(H2,10,12).
What are the key properties of 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3a-trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide is sourced from PubChem (CID 67340863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).