propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate

C11H19NO2 — CID 25094471

IUPACpropan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)C1CC2CNCC2C1
InChIInChI=1S/C11H19NO2/c1-7(2)14-11(13)8-3-9-5-12-6-10(9)4-8/h7-10,12H,3-6H2,1-2H3
InChIKeyMPLZWDOUXJPCLM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds2

About propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate

propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate (PubChem CID 25094471) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
PubChem CID25094471
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namepropan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)C1CC2CNCC2C1
InChIInChI=1S/C11H19NO2/c1-7(2)14-11(13)8-3-9-5-12-6-10(9)4-8/h7-10,12H,3-6H2,1-2H3
InChIKeyMPLZWDOUXJPCLM-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The IUPAC name of propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate (CID 25094471) is propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate.
What is the SMILES notation for propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The canonical SMILES for propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate is CC(C)OC(=O)C1CC2CNCC2C1.
What is the InChIKey of propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The InChIKey is MPLZWDOUXJPCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)14-11(13)8-3-9-5-12-6-10(9)4-8/h7-10,12H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate is sourced from PubChem (CID 25094471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).