ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

C10H17NO2 — CID 10797545

IUPACethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCCN1CCC2
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)10-5-3-7-11(10)8-4-6-10/h2-8H2,1H3
InChIKeyMPCNRVQFHCDTSN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.18
Rot. Bonds2

About ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 10797545) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID10797545
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCCN1CCC2
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)10-5-3-7-11(10)8-4-6-10/h2-8H2,1H3
InChIKeyMPCNRVQFHCDTSN-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 10797545) is ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is CCOC(=O)C12CCCN1CCC2.
What is the InChIKey of ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is MPCNRVQFHCDTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-9(12)10-5-3-7-11(10)8-4-6-10/h2-8H2,1H3.
What are the key properties of ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 10797545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).