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

C10H17NO2 — CID 11805402

IUPACethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCN2CCCC12
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h8-9H,2-7H2,1H3
InChIKeyFBZMBOHWVBVEDR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds2

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

ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate (PubChem CID 11805402) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
PubChem CID11805402
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1CCN2CCCC12
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h8-9H,2-7H2,1H3
InChIKeyFBZMBOHWVBVEDR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate (CID 11805402) is ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is CCOC(=O)C1CCN2CCCC12.
What is the InChIKey of ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is FBZMBOHWVBVEDR-UHFFFAOYSA-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.
What are the key properties of ethyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
ethyl 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 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 11805402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).