cycloheptyl pyrrolidine-3-carboxylate

C12H21NO2 — CID 63033044

IUPACcycloheptyl pyrrolidine-3-carboxylate
SMILESO=C(OC1CCCCCC1)C1CCNC1
InChIInChI=1S/C12H21NO2/c14-12(10-7-8-13-9-10)15-11-5-3-1-2-4-6-11/h10-11,13H,1-9H2
InChIKeyPZPIMZONYJRFAB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds2

About cycloheptyl pyrrolidine-3-carboxylate

cycloheptyl pyrrolidine-3-carboxylate (PubChem CID 63033044) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cycloheptyl pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namecycloheptyl pyrrolidine-3-carboxylate
PubChem CID63033044
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecycloheptyl pyrrolidine-3-carboxylate
SMILESO=C(OC1CCCCCC1)C1CCNC1
InChIInChI=1S/C12H21NO2/c14-12(10-7-8-13-9-10)15-11-5-3-1-2-4-6-11/h10-11,13H,1-9H2
InChIKeyPZPIMZONYJRFAB-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
cyclopentyl piperidine-3-carboxylate
CID 61278605
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
piperidin-3-yl cyclopentanecarboxylate
CID 56829579
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclopentyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 25094738
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
piperidin-3-yl cyclobutanecarboxylate;hydrochloride
CID 53409783
methyl pyrrolidine-3-carboxylate
CID 4114360
(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate
CID 81121055
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122

Frequently Asked Questions

What is the IUPAC name of cycloheptyl pyrrolidine-3-carboxylate?
The IUPAC name of cycloheptyl pyrrolidine-3-carboxylate (CID 63033044) is cycloheptyl pyrrolidine-3-carboxylate.
What is the SMILES notation for cycloheptyl pyrrolidine-3-carboxylate?
The canonical SMILES for cycloheptyl pyrrolidine-3-carboxylate is O=C(OC1CCCCCC1)C1CCNC1.
What is the InChIKey of cycloheptyl pyrrolidine-3-carboxylate?
The InChIKey is PZPIMZONYJRFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(10-7-8-13-9-10)15-11-5-3-1-2-4-6-11/h10-11,13H,1-9H2.
What are the key properties of cycloheptyl pyrrolidine-3-carboxylate?
cycloheptyl pyrrolidine-3-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl pyrrolidine-3-carboxylate is sourced from PubChem (CID 63033044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).