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

C13H21NO2 — CID 25094738

IUPACcyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
SMILESO=C(OC1CCCC1)C1CC2CNCC2C1
InChIInChI=1S/C13H21NO2/c15-13(16-12-3-1-2-4-12)9-5-10-7-14-8-11(10)6-9/h9-12,14H,1-8H2
InChIKeyZSYIOUNZZRWKGU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds2

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

cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate (PubChem CID 25094738) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
PubChem CID25094738
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namecyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
SMILESO=C(OC1CCCC1)C1CC2CNCC2C1
InChIInChI=1S/C13H21NO2/c15-13(16-12-3-1-2-4-12)9-5-10-7-14-8-11(10)6-9/h9-12,14H,1-8H2
InChIKeyZSYIOUNZZRWKGU-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 25094742
cyclopentyl piperidine-3-carboxylate
CID 61278605
cycloheptyl pyrrolidine-3-carboxylate
CID 63033044
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
piperidin-3-yl cyclopentanecarboxylate
CID 56829579
propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 25094471
cyclopentyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 141269509
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone
CID 25097848

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The IUPAC name of cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate (CID 25094738) is cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate.
What is the SMILES notation for cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The canonical SMILES for cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate is O=C(OC1CCCC1)C1CC2CNCC2C1.
What is the InChIKey of cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The InChIKey is ZSYIOUNZZRWKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(16-12-3-1-2-4-12)9-5-10-7-14-8-11(10)6-9/h9-12,14H,1-8H2.
What are the key properties of cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate has a molecular weight of 223.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate is sourced from PubChem (CID 25094738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).