6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol

C15H17NO — CID 67845347

IUPAC6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol
SMILESC=CCc1cc2c(cc1CC=C)CC(O)N=C2
InChIInChI=1S/C15H17NO/c1-3-5-11-7-13-9-15(17)16-10-14(13)8-12(11)6-4-2/h3-4,7-8,10,15,17H,1-2,5-6,9H2
InChIKeyJTEOHCFODORDLA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.44
Rot. Bonds4

About 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol

6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol (PubChem CID 67845347) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol.

Molecular Properties

Compound Name6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol
PubChem CID67845347
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol
SMILESC=CCc1cc2c(cc1CC=C)CC(O)N=C2
InChIInChI=1S/C15H17NO/c1-3-5-11-7-13-9-15(17)16-10-14(13)8-12(11)6-4-2/h3-4,7-8,10,15,17H,1-2,5-6,9H2
InChIKeyJTEOHCFODORDLA-UHFFFAOYSA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.44
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 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol?
The IUPAC name of 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol (CID 67845347) is 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol.
What is the SMILES notation for 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol?
The canonical SMILES for 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol is C=CCc1cc2c(cc1CC=C)CC(O)N=C2.
What is the InChIKey of 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol?
The InChIKey is JTEOHCFODORDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-5-11-7-13-9-15(17)16-10-14(13)8-12(11)6-4-2/h3-4,7-8,10,15,17H,1-2,5-6,9H2.
What are the key properties of 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol?
6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol has a molecular weight of 227.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(prop-2-enyl)-3,4-dihydroisoquinolin-3-ol is sourced from PubChem (CID 67845347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).