ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride

C9H18ClNO2 — CID 42614259

IUPACethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC(CC)CN1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-7-5-8(10-6-7)9(11)12-4-2;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyDZFNBGGWVZLTQM-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds3

About ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride

ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride (PubChem CID 42614259) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
PubChem CID42614259
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Nameethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC(CC)CN1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-7-5-8(10-6-7)9(11)12-4-2;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyDZFNBGGWVZLTQM-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride (CID 42614259) is ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride is CCOC(=O)C1CC(CC)CN1.Cl.
What is the InChIKey of ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is DZFNBGGWVZLTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-3-7-5-8(10-6-7)9(11)12-4-2;/h7-8,10H,3-6H2,1-2H3;1H.
What are the key properties of ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride?
ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 42614259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).