ethyl 5H-pyrrolizine-1-carboxylate

C10H11NO2 — CID 13273517

IUPACethyl 5H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)c1ccn2c1C=CC2
InChIInChI=1S/C10H11NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h3-5,7H,2,6H2,1H3
InChIKeyWHKGKDLCSCUISO-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.69
Rot. Bonds2

About ethyl 5H-pyrrolizine-1-carboxylate

ethyl 5H-pyrrolizine-1-carboxylate (PubChem CID 13273517) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is ethyl 5H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5H-pyrrolizine-1-carboxylate
PubChem CID13273517
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Nameethyl 5H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)c1ccn2c1C=CC2
InChIInChI=1S/C10H11NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h3-5,7H,2,6H2,1H3
InChIKeyWHKGKDLCSCUISO-UHFFFAOYSA-N
XLogP1.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate
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ethyl 9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-3-carboxylate
CID 134177694
ethyl 2-pyrrol-1-ylbenzoate
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diethyl 2-hydroperoxybenzene-1,4-dicarboxylate
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ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate
CID 121224109
ethyl 4-oxoquinolizine-3-carboxylate
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ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate
CID 152705884

Frequently Asked Questions

What is the IUPAC name of ethyl 5H-pyrrolizine-1-carboxylate?
The IUPAC name of ethyl 5H-pyrrolizine-1-carboxylate (CID 13273517) is ethyl 5H-pyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl 5H-pyrrolizine-1-carboxylate?
The canonical SMILES for ethyl 5H-pyrrolizine-1-carboxylate is CCOC(=O)c1ccn2c1C=CC2.
What is the InChIKey of ethyl 5H-pyrrolizine-1-carboxylate?
The InChIKey is WHKGKDLCSCUISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 5H-pyrrolizine-1-carboxylate?
ethyl 5H-pyrrolizine-1-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 13273517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).