8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol

C14H17NO — CID 142041822

IUPAC8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
SMILESC=C/C(=C\C)C1CCC(O)c2ccncc21
InChIInChI=1S/C14H17NO/c1-3-10(4-2)11-5-6-14(16)12-7-8-15-9-13(11)12/h3-4,7-9,11,14,16H,1,5-6H2,2H3/b10-4+
InChIKeyAOZJIZYOPMDUHR-ONNFQVAWSA-N
MW215.30 g/mol
LogP3.12
Rot. Bonds2

About 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol

8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol (PubChem CID 142041822) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
PubChem CID142041822
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
SMILESC=C/C(=C\C)C1CCC(O)c2ccncc21
InChIInChI=1S/C14H17NO/c1-3-10(4-2)11-5-6-14(16)12-7-8-15-9-13(11)12/h3-4,7-9,11,14,16H,1,5-6H2,2H3/b10-4+
InChIKeyAOZJIZYOPMDUHR-ONNFQVAWSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol with MolForge

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Related Compounds

(3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol
CID 70965583
6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 12042863
(5R)-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 92845053
4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
CID 144567672
1-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63327797
1-methyl-1,3-dihydrofuro[3,4-c]pyridin-3-ol
CID 150712720
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
(5S,6aR)-5-hydroxy-10-trimethylsilyl-6,6a,7,8-tetrahydro-5H-benzo[h]isoquinolin-9-one
CID 102165151
3-hydroxy-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 11252187
7-methyl-5,6-dihydrocyclopenta[c]pyridine-5,7-diol
CID 85099612
3-cyclopropyl-N,N-dimethylpyridin-4-amine
CID 166832529
4-[4-(3-aminoazetidin-1-yl)cyclohexyl]pyridin-3-ol
CID 141283309

Frequently Asked Questions

What is the IUPAC name of 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol?
The IUPAC name of 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol (CID 142041822) is 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol is C=C/C(=C\C)C1CCC(O)c2ccncc21.
What is the InChIKey of 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol?
The InChIKey is AOZJIZYOPMDUHR-ONNFQVAWSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-10(4-2)11-5-6-14(16)12-7-8-15-9-13(11)12/h3-4,7-9,11,14,16H,1,5-6H2,2H3/b10-4+.
What are the key properties of 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol?
8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol has a molecular weight of 215.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 142041822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).