ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate

C10H15NO3 — CID 71374744

IUPACethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)N2CCC[C@H]12
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)7-6-9(12)11-5-3-4-8(7)11/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyLZAMGHNQDIVDLV-HTQZYQBOSA-N
MW197.23 g/mol
LogP0.56
Rot. Bonds2

About ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate

ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate (PubChem CID 71374744) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
PubChem CID71374744
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)N2CCC[C@H]12
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)7-6-9(12)11-5-3-4-8(7)11/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyLZAMGHNQDIVDLV-HTQZYQBOSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1R,8S)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 10921169
ethyl 2-(2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylate
CID 85299400
trans-ethyl (1S,2S)-2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 68977191
tert-butyl (1R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-1-carboxylate
CID 135039760
ethyl (3R,4S)-3-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
CID 147759481
cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
ethyl (1R,2S,8aS)-1-amino-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-2-carboxylate
CID 25418924
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
ethyl (3R)-1-[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018625
ethyl (3S)-1-[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018624
ethyl (3S)-1-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9364684

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The IUPAC name of ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate (CID 71374744) is ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The canonical SMILES for ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate is CCOC(=O)[C@@H]1CC(=O)N2CCC[C@H]12.
What is the InChIKey of ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The InChIKey is LZAMGHNQDIVDLV-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-10(13)7-6-9(12)11-5-3-4-8(7)11/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate is sourced from PubChem (CID 71374744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).