7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol

C19H23NO — CID 70263255

IUPAC7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol
SMILESC=CCc1ccc2cc(C=CCCCC(C)O)ncc2c1
InChIInChI=1S/C19H23NO/c1-3-7-16-10-11-17-13-19(20-14-18(17)12-16)9-6-4-5-8-15(2)21/h3,6,9-15,21H,1,4-5,7-8H2,2H3
InChIKeyDCESVVIAMALJNF-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.53
Rot. Bonds7

About 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol

7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol (PubChem CID 70263255) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol.

Molecular Properties

Compound Name7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol
PubChem CID70263255
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol
SMILESC=CCc1ccc2cc(C=CCCCC(C)O)ncc2c1
InChIInChI=1S/C19H23NO/c1-3-7-16-10-11-17-13-19(20-14-18(17)12-16)9-6-4-5-8-15(2)21/h3,6,9-15,21H,1,4-5,7-8H2,2H3
InChIKeyDCESVVIAMALJNF-UHFFFAOYSA-N
XLogP4.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol?
The IUPAC name of 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol (CID 70263255) is 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol.
What is the SMILES notation for 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol?
The canonical SMILES for 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol is C=CCc1ccc2cc(C=CCCCC(C)O)ncc2c1.
What is the InChIKey of 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol?
The InChIKey is DCESVVIAMALJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-7-16-10-11-17-13-19(20-14-18(17)12-16)9-6-4-5-8-15(2)21/h3,6,9-15,21H,1,4-5,7-8H2,2H3.
What are the key properties of 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol?
7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol has a molecular weight of 281.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol is sourced from PubChem (CID 70263255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).