ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride

C16H27ClN2O3 — CID 52997862

IUPACethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc(C)n(CCCN2CCOCC2)c1C.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-4-21-16(19)15-12-13(2)18(14(15)3)7-5-6-17-8-10-20-11-9-17;/h12H,4-11H2,1-3H3;1H
InChIKeyRONKCBWAGGGTDB-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride

ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride (PubChem CID 52997862) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride
PubChem CID52997862
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Nameethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc(C)n(CCCN2CCOCC2)c1C.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-4-21-16(19)15-12-13(2)18(14(15)3)7-5-6-17-8-10-20-11-9-17;/h12H,4-11H2,1-3H3;1H
InChIKeyRONKCBWAGGGTDB-UHFFFAOYSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride (CID 52997862) is ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride is CCOC(=O)c1cc(C)n(CCCN2CCOCC2)c1C.Cl.
What is the InChIKey of ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride?
The InChIKey is RONKCBWAGGGTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-4-21-16(19)15-12-13(2)18(14(15)3)7-5-6-17-8-10-20-11-9-17;/h12H,4-11H2,1-3H3;1H.
What are the key properties of ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride?
ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate;hydrochloride is sourced from PubChem (CID 52997862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).