3-ethenoxyquinoline

C11H9NO — CID 3054471

IUPAC3-ethenoxyquinoline
SMILESC=COc1cnc2ccccc2c1
InChIInChI=1S/C11H9NO/c1-2-13-10-7-9-5-3-4-6-11(9)12-8-10/h2-8H,1H2
InChIKeyJQCWZQDHPSCDDN-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.76
Rot. Bonds2

About 3-ethenoxyquinoline

3-ethenoxyquinoline (PubChem CID 3054471) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-ethenoxyquinoline.

Molecular Properties

Compound Name3-ethenoxyquinoline
PubChem CID3054471
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name3-ethenoxyquinoline
SMILESC=COc1cnc2ccccc2c1
InChIInChI=1S/C11H9NO/c1-2-13-10-7-9-5-3-4-6-11(9)12-8-10/h2-8H,1H2
InChIKeyJQCWZQDHPSCDDN-UHFFFAOYSA-N
XLogP2.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxyquinoline?
The IUPAC name of 3-ethenoxyquinoline (CID 3054471) is 3-ethenoxyquinoline.
What is the SMILES notation for 3-ethenoxyquinoline?
The canonical SMILES for 3-ethenoxyquinoline is C=COc1cnc2ccccc2c1.
What is the InChIKey of 3-ethenoxyquinoline?
The InChIKey is JQCWZQDHPSCDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-13-10-7-9-5-3-4-6-11(9)12-8-10/h2-8H,1H2.
What are the key properties of 3-ethenoxyquinoline?
3-ethenoxyquinoline has a molecular weight of 171.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxyquinoline is sourced from PubChem (CID 3054471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).