ethyl pyrrolidine-1-carboxylate;methanol

C8H17NO3 — CID 153400940

IUPACethyl pyrrolidine-1-carboxylate;methanol
SMILESCCOC(=O)N1CCCC1.CO
InChIInChI=1S/C7H13NO2.CH4O/c1-2-10-7(9)8-5-3-4-6-8;1-2/h2-6H2,1H3;2H,1H3
InChIKeyOACJXBKXZKYESW-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.85
Rot. Bonds1

About ethyl pyrrolidine-1-carboxylate;methanol

ethyl pyrrolidine-1-carboxylate;methanol (PubChem CID 153400940) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl pyrrolidine-1-carboxylate;methanol.

Molecular Properties

Compound Nameethyl pyrrolidine-1-carboxylate;methanol
PubChem CID153400940
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl pyrrolidine-1-carboxylate;methanol
SMILESCCOC(=O)N1CCCC1.CO
InChIInChI=1S/C7H13NO2.CH4O/c1-2-10-7(9)8-5-3-4-6-8;1-2/h2-6H2,1H3;2H,1H3
InChIKeyOACJXBKXZKYESW-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl pyrrolidine-1-carboxylate;methanol?
The IUPAC name of ethyl pyrrolidine-1-carboxylate;methanol (CID 153400940) is ethyl pyrrolidine-1-carboxylate;methanol.
What is the SMILES notation for ethyl pyrrolidine-1-carboxylate;methanol?
The canonical SMILES for ethyl pyrrolidine-1-carboxylate;methanol is CCOC(=O)N1CCCC1.CO.
What is the InChIKey of ethyl pyrrolidine-1-carboxylate;methanol?
The InChIKey is OACJXBKXZKYESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.CH4O/c1-2-10-7(9)8-5-3-4-6-8;1-2/h2-6H2,1H3;2H,1H3.
What are the key properties of ethyl pyrrolidine-1-carboxylate;methanol?
ethyl pyrrolidine-1-carboxylate;methanol has a molecular weight of 175.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyrrolidine-1-carboxylate;methanol is sourced from PubChem (CID 153400940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).