(2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol

C9H17NO2 — CID 137468483

IUPAC(2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol
SMILESCCOC1CC/C(=C\CO)N1C
InChIInChI=1S/C9H17NO2/c1-3-12-9-5-4-8(6-7-11)10(9)2/h6,9,11H,3-5,7H2,1-2H3/b8-6+
InChIKeyYUDCPLAFPPTHHN-SOFGYWHQSA-N
MW171.24 g/mol
LogP0.95
Rot. Bonds3

About (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol

(2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol (PubChem CID 137468483) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol
PubChem CID137468483
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol
SMILESCCOC1CC/C(=C\CO)N1C
InChIInChI=1S/C9H17NO2/c1-3-12-9-5-4-8(6-7-11)10(9)2/h6,9,11H,3-5,7H2,1-2H3/b8-6+
InChIKeyYUDCPLAFPPTHHN-SOFGYWHQSA-N
XLogP0.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol?
The IUPAC name of (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol (CID 137468483) is (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol.
What is the SMILES notation for (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol?
The canonical SMILES for (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol is CCOC1CC/C(=C\CO)N1C.
What is the InChIKey of (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol?
The InChIKey is YUDCPLAFPPTHHN-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-9-5-4-8(6-7-11)10(9)2/h6,9,11H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol?
(2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol has a molecular weight of 171.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-ethoxy-1-methylpyrrolidin-2-ylidene)ethanol is sourced from PubChem (CID 137468483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).