ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate

C13H21NO3 — CID 67827597

IUPACethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate
SMILESCCOC(=O)OC1CC2CC1CC21CCNC1
InChIInChI=1S/C13H21NO3/c1-2-16-12(15)17-11-6-10-5-9(11)7-13(10)3-4-14-8-13/h9-11,14H,2-8H2,1H3
InChIKeyNKGIJOCZVMYMJK-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds2

About ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate

ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate (PubChem CID 67827597) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate.

Molecular Properties

Compound Nameethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate
PubChem CID67827597
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate
SMILESCCOC(=O)OC1CC2CC1CC21CCNC1
InChIInChI=1S/C13H21NO3/c1-2-16-12(15)17-11-6-10-5-9(11)7-13(10)3-4-14-8-13/h9-11,14H,2-8H2,1H3
InChIKeyNKGIJOCZVMYMJK-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate
CID 67852432
ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate
CID 159520645
[2,4-bis(ethoxycarbonyloxy)cyclohexyl] ethyl carbonate
CID 23066426
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate
CID 139641646
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
CID 70041811
2-methyl-5-azaspiro[2.4]heptane
CID 91206231
1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate;hydrochloride
CID 17141162
ethyl thiomorpholin-2-yl carbonate
CID 70492337
ethyl [2,3,4,5-tetrakis(ethoxycarbonyloxy)-6-methoxycyclohexyl] carbonate
CID 118203008
(5,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-ethylhexanoate
CID 13168775

Frequently Asked Questions

What is the IUPAC name of ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate?
The IUPAC name of ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate (CID 67827597) is ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate.
What is the SMILES notation for ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate?
The canonical SMILES for ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate is CCOC(=O)OC1CC2CC1CC21CCNC1.
What is the InChIKey of ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate?
The InChIKey is NKGIJOCZVMYMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-16-12(15)17-11-6-10-5-9(11)7-13(10)3-4-14-8-13/h9-11,14H,2-8H2,1H3.
What are the key properties of ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate?
ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate has a molecular weight of 239.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate is sourced from PubChem (CID 67827597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).