5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde

C11H15NO2 — CID 100793682

IUPAC5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde
SMILESC=CCn1c(C=O)ccc1CCOC
InChIInChI=1S/C11H15NO2/c1-3-7-12-10(6-8-14-2)4-5-11(12)9-13/h3-5,9H,1,6-8H2,2H3
InChIKeyBOWDOVGREDZKIV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.68
Rot. Bonds6

About 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde

5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde (PubChem CID 100793682) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde
PubChem CID100793682
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde
SMILESC=CCn1c(C=O)ccc1CCOC
InChIInChI=1S/C11H15NO2/c1-3-7-12-10(6-8-14-2)4-5-11(12)9-13/h3-5,9H,1,6-8H2,2H3
InChIKeyBOWDOVGREDZKIV-UHFFFAOYSA-N
XLogP1.68
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde?
The IUPAC name of 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde (CID 100793682) is 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde?
The canonical SMILES for 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde is C=CCn1c(C=O)ccc1CCOC.
What is the InChIKey of 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde?
The InChIKey is BOWDOVGREDZKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-7-12-10(6-8-14-2)4-5-11(12)9-13/h3-5,9H,1,6-8H2,2H3.
What are the key properties of 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde?
5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1-prop-2-enylpyrrole-2-carbaldehyde is sourced from PubChem (CID 100793682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).