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

C12H20N2O2 — CID 141269509

IUPACcyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESO=C(OC1CCCC1)N1CC2CNCC2C1
InChIInChI=1S/C12H20N2O2/c15-12(16-11-3-1-2-4-11)14-7-9-5-13-6-10(9)8-14/h9-11,13H,1-8H2
InChIKeyITHUUDNBSCAIHA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.22
Rot. Bonds1

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

cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate (PubChem CID 141269509) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
PubChem CID141269509
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namecyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESO=C(OC1CCCC1)N1CC2CNCC2C1
InChIInChI=1S/C12H20N2O2/c15-12(16-11-3-1-2-4-11)14-7-9-5-13-6-10(9)8-14/h9-11,13H,1-8H2
InChIKeyITHUUDNBSCAIHA-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The IUPAC name of cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate (CID 141269509) is cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate.
What is the SMILES notation for cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The canonical SMILES for cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is O=C(OC1CCCC1)N1CC2CNCC2C1.
What is the InChIKey of cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The InChIKey is ITHUUDNBSCAIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(16-11-3-1-2-4-11)14-7-9-5-13-6-10(9)8-14/h9-11,13H,1-8H2.
What are the key properties of cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 141269509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).