ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate

C10H17NO2 — CID 134924768

IUPACethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCN2CCC[C@H]12
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h8-9H,2-7H2,1H3/t8?,9-/m1/s1
InChIKeyFBZMBOHWVBVEDR-YGPZHTELSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds2

About ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate

ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate (PubChem CID 134924768) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
PubChem CID134924768
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCN2CCC[C@H]12
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h8-9H,2-7H2,1H3/t8?,9-/m1/s1
InChIKeyFBZMBOHWVBVEDR-YGPZHTELSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chysin A
CID 12345304
ethyl (1R,7aR)-hexahydro-1H-pyrrolizine-1-carboxylate
CID 11240842
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-methylbutanoate
CID 163053575
[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate
CID 163191201
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 558075
(1R,7AR)-hexahydro-1H-pyrrolizine-1-carboxylic acid
CID 12304360
ethyl 2-[(2R,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]acetate
CID 177853140
methyl (1S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 11041383
Hexahydro-1H-pyrrolizine-1-carboxylic acid
CID 12304356
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
(+)-1-Hydroxymethyl-pyrrolizidine butanoic acid ester
CID 67189194

Frequently Asked Questions

What is the IUPAC name of ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate (CID 134924768) is ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is CCOC(=O)C1CCN2CCC[C@H]12.
What is the InChIKey of ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is FBZMBOHWVBVEDR-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h8-9H,2-7H2,1H3/t8?,9-/m1/s1.
What are the key properties of ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 134924768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).