3-ethenyl-3-methyl-2H-quinolin-8-ol

C12H13NO — CID 139608537

IUPAC3-ethenyl-3-methyl-2H-quinolin-8-ol
SMILESC=CC1(C)C=c2cccc(O)c2=NC1
InChIInChI=1S/C12H13NO/c1-3-12(2)7-9-5-4-6-10(14)11(9)13-8-12/h3-7,14H,1,8H2,2H3
InChIKeyWCUKWDXDTIYRGT-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.00
Rot. Bonds1

About 3-ethenyl-3-methyl-2H-quinolin-8-ol

3-ethenyl-3-methyl-2H-quinolin-8-ol (PubChem CID 139608537) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-ethenyl-3-methyl-2H-quinolin-8-ol.

Molecular Properties

Compound Name3-ethenyl-3-methyl-2H-quinolin-8-ol
PubChem CID139608537
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-ethenyl-3-methyl-2H-quinolin-8-ol
SMILESC=CC1(C)C=c2cccc(O)c2=NC1
InChIInChI=1S/C12H13NO/c1-3-12(2)7-9-5-4-6-10(14)11(9)13-8-12/h3-7,14H,1,8H2,2H3
InChIKeyWCUKWDXDTIYRGT-UHFFFAOYSA-N
XLogP1.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methyl-2H-quinolin-8-ol?
The IUPAC name of 3-ethenyl-3-methyl-2H-quinolin-8-ol (CID 139608537) is 3-ethenyl-3-methyl-2H-quinolin-8-ol.
What is the SMILES notation for 3-ethenyl-3-methyl-2H-quinolin-8-ol?
The canonical SMILES for 3-ethenyl-3-methyl-2H-quinolin-8-ol is C=CC1(C)C=c2cccc(O)c2=NC1.
What is the InChIKey of 3-ethenyl-3-methyl-2H-quinolin-8-ol?
The InChIKey is WCUKWDXDTIYRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-12(2)7-9-5-4-6-10(14)11(9)13-8-12/h3-7,14H,1,8H2,2H3.
What are the key properties of 3-ethenyl-3-methyl-2H-quinolin-8-ol?
3-ethenyl-3-methyl-2H-quinolin-8-ol has a molecular weight of 187.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methyl-2H-quinolin-8-ol is sourced from PubChem (CID 139608537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).