ethyl 2-ethoxypyrrolidine-1-carboxylate

C9H17NO3 — CID 10976224

IUPACethyl 2-ethoxypyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1OCC
InChIInChI=1S/C9H17NO3/c1-3-12-8-6-5-7-10(8)9(11)13-4-2/h8H,3-7H2,1-2H3
InChIKeyIEUFSROCORFZHN-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds3

About ethyl 2-ethoxypyrrolidine-1-carboxylate

ethyl 2-ethoxypyrrolidine-1-carboxylate (PubChem CID 10976224) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-ethoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxypyrrolidine-1-carboxylate
PubChem CID10976224
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-ethoxypyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1OCC
InChIInChI=1S/C9H17NO3/c1-3-12-8-6-5-7-10(8)9(11)13-4-2/h8H,3-7H2,1-2H3
InChIKeyIEUFSROCORFZHN-UHFFFAOYSA-N
XLogP1.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxypyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-ethoxypyrrolidine-1-carboxylate (CID 10976224) is ethyl 2-ethoxypyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-ethoxypyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-ethoxypyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1OCC.
What is the InChIKey of ethyl 2-ethoxypyrrolidine-1-carboxylate?
The InChIKey is IEUFSROCORFZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-12-8-6-5-7-10(8)9(11)13-4-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-ethoxypyrrolidine-1-carboxylate?
ethyl 2-ethoxypyrrolidine-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 10976224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).