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Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate

C11H20N2O2 — CID 66207835

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACpropan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)N1CC2CNCC2C1C
InChIInChI=1S/C11H20N2O2/c1-7(2)15-11(14)13-6-9-4-12-5-10(9)8(13)3/h7-10,12H,4-6H2,1-3H3
InChIKeyVQWHISWFSHWNSW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.07
Rot. Bonds1

About Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate

Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate (PubChem CID 66207835) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

Compound NamePropan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
PubChem CID66207835
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namepropan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)N1CC2CNCC2C1C
InChIInChI=1S/C11H20N2O2/c1-7(2)15-11(14)13-6-9-4-12-5-10(9)8(13)3/h7-10,12H,4-6H2,1-3H3
InChIKeyVQWHISWFSHWNSW-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The IUPAC name of Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate (CID 66207835) is propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate.
What is the SMILES notation for Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The canonical SMILES for Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is CC(C)OC(=O)N1CC2CNCC2C1C.
What is the InChIKey of Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The InChIKey is VQWHISWFSHWNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)15-11(14)13-6-9-4-12-5-10(9)8(13)3/h7-10,12H,4-6H2,1-3H3.
What are the key properties of Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Propan-2-yl 4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 66207835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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