1-ethoxypyrrolidine

C6H13NO — CID 22475124

IUPAC1-ethoxypyrrolidine
SMILESCCON1CCCC1
InChIInChI=1S/C6H13NO/c1-2-8-7-5-3-4-6-7/h2-6H2,1H3
InChIKeyVXUVGSRJTGCPBO-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.03
Rot. Bonds2

About 1-ethoxypyrrolidine

1-ethoxypyrrolidine (PubChem CID 22475124) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-ethoxypyrrolidine.

Molecular Properties

Compound Name1-ethoxypyrrolidine
PubChem CID22475124
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-ethoxypyrrolidine
SMILESCCON1CCCC1
InChIInChI=1S/C6H13NO/c1-2-8-7-5-3-4-6-7/h2-6H2,1H3
InChIKeyVXUVGSRJTGCPBO-UHFFFAOYSA-N
XLogP1.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypyrrolidine?
The IUPAC name of 1-ethoxypyrrolidine (CID 22475124) is 1-ethoxypyrrolidine.
What is the SMILES notation for 1-ethoxypyrrolidine?
The canonical SMILES for 1-ethoxypyrrolidine is CCON1CCCC1.
What is the InChIKey of 1-ethoxypyrrolidine?
The InChIKey is VXUVGSRJTGCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-8-7-5-3-4-6-7/h2-6H2,1H3.
What are the key properties of 1-ethoxypyrrolidine?
1-ethoxypyrrolidine has a molecular weight of 115.18 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypyrrolidine is sourced from PubChem (CID 22475124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).