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

C14H23NO2 — CID 7201286

IUPACethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
SMILESCCOC(=O)[C@H]1CC2(CCCC2)N2CCC[C@@H]12
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/t11-,12-/m0/s1
InChIKeySQVGKJHPVVUQEZ-RYUDHWBXSA-N
MW237.34 g/mol
LogP2.35
Rot. Bonds2

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

ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate (PubChem CID 7201286) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
PubChem CID7201286
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
SMILESCCOC(=O)[C@H]1CC2(CCCC2)N2CCC[C@@H]12
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/t11-,12-/m0/s1
InChIKeySQVGKJHPVVUQEZ-RYUDHWBXSA-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

Analyze ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate with MolForge

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Related Compounds

Chysin A
CID 12345304
ethyl (1R,7aR)-hexahydro-1H-pyrrolizine-1-carboxylate
CID 11240842
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 558075
Ethyl tetrahydro-1H-pyrrolizine-7A(5H)-acetate
CID 13463200
ethyl 2-fluoro-3-[(2R,3S,8S)-2-fluoro-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]propanoate
CID 174086850
ethyl (1S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 13088886
ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 134924768
Ethyl hexahydro-3,3-dimethyl-1H-pyrrolizine-1-carboxylate
CID 5200240
dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate
CID 5200290
ethyl hexahydro-1H-pyrrolizine-1-carboxylate
CID 11805402
ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-2-carboxylate
CID 12335061
butyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-2-carboxylate
CID 53813091

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate?
The IUPAC name of ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate (CID 7201286) is ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate.
What is the SMILES notation for ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate?
The canonical SMILES for ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate is CCOC(=O)[C@H]1CC2(CCCC2)N2CCC[C@@H]12.
What is the InChIKey of ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate?
The InChIKey is SQVGKJHPVVUQEZ-RYUDHWBXSA-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/t11-,12-/m0/s1.
What are the key properties of ethyl (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate?
ethyl (1S,8S)-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 (1S,8S)-spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate is sourced from PubChem (CID 7201286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).