ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate

C14H23NO2 — CID 4913249

IUPACethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
SMILESCCOC(=O)C1CC2(CCCC2)N2CCCC12
InChIInChI=1S/C14H23NO2/c1-2-17-13(16)11-10-14(7-3-4-8-14)15-9-5-6-12(11)15/h11-12H,2-10H2,1H3
InChIKeySQVGKJHPVVUQEZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.35
Rot. Bonds2

About ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate

ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate (PubChem CID 4913249) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate.

Molecular Properties

Compound Nameethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
PubChem CID4913249
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
SMILESCCOC(=O)C1CC2(CCCC2)N2CCCC12
InChIInChI=1S/C14H23NO2/c1-2-17-13(16)11-10-14(7-3-4-8-14)15-9-5-6-12(11)15/h11-12H,2-10H2,1H3
InChIKeySQVGKJHPVVUQEZ-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate
CID 156806223
ethyl (1R,3S,8R)-5'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate
CID 11899106
ethyl (1S,3S,8S)-5'-bromo-7'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate
CID 7353455
ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 71374744
ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate
CID 118738573
ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate
CID 124638219
ethyl 2-(2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylate
CID 85299400
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484
cis-ethyl (1R,2S)-2-[4-[(1R,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]cyclohexane-1-carboxylate
CID 124856389
ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 69116253
ethyl 1-formylpyrrolidine-2-carboxylate
CID 18469486

Frequently Asked Questions

What is the IUPAC name of ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate?
The IUPAC name of ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate (CID 4913249) is ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate.
What is the SMILES notation for ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate?
The canonical SMILES for ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate is CCOC(=O)C1CC2(CCCC2)N2CCCC12.
What is the InChIKey of ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate?
The InChIKey is SQVGKJHPVVUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-13(16)11-10-14(7-3-4-8-14)15-9-5-6-12(11)15/h11-12H,2-10H2,1H3.
What are the key properties of ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate?
ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate is sourced from PubChem (CID 4913249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).