3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline

C14H15NO2 — CID 59873189

IUPAC3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
SMILESCOC(/C=C/c1cnc2ccccc2c1)OC
InChIInChI=1S/C14H15NO2/c1-16-14(17-2)8-7-11-9-12-5-3-4-6-13(12)15-10-11/h3-10,14H,1-2H3/b8-7+
InChIKeyUFYGMDZGEOPLKU-BQYQJAHWSA-N
MW229.28 g/mol
LogP2.87
Rot. Bonds4

About 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline

3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline (PubChem CID 59873189) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline.

Molecular Properties

Compound Name3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
PubChem CID59873189
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
SMILESCOC(/C=C/c1cnc2ccccc2c1)OC
InChIInChI=1S/C14H15NO2/c1-16-14(17-2)8-7-11-9-12-5-3-4-6-13(12)15-10-11/h3-10,14H,1-2H3/b8-7+
InChIKeyUFYGMDZGEOPLKU-BQYQJAHWSA-N
XLogP2.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline?
The IUPAC name of 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline (CID 59873189) is 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline.
What is the SMILES notation for 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline?
The canonical SMILES for 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline is COC(/C=C/c1cnc2ccccc2c1)OC.
What is the InChIKey of 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline?
The InChIKey is UFYGMDZGEOPLKU-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H15NO2/c1-16-14(17-2)8-7-11-9-12-5-3-4-6-13(12)15-10-11/h3-10,14H,1-2H3/b8-7+.
What are the key properties of 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline?
3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline has a molecular weight of 229.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline is sourced from PubChem (CID 59873189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).