(6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol

C15H15NO2 — CID 145195522

IUPAC(6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol
SMILESC=C/C=c1/c(O)c2cnccc2c(O)/c1=C/CC
InChIInChI=1S/C15H15NO2/c1-3-5-10-11(6-4-2)15(18)13-9-16-8-7-12(13)14(10)17/h4-9,17-18H,2-3H2,1H3/b10-5+,11-6+
InChIKeyHJCKFTKOXIILNQ-YOYBCKCWSA-N
MW241.29 g/mol
LogP1.80
Rot. Bonds2

About (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol

(6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol (PubChem CID 145195522) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol.

Molecular Properties

Compound Name(6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol
PubChem CID145195522
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol
SMILESC=C/C=c1/c(O)c2cnccc2c(O)/c1=C/CC
InChIInChI=1S/C15H15NO2/c1-3-5-10-11(6-4-2)15(18)13-9-16-8-7-12(13)14(10)17/h4-9,17-18H,2-3H2,1H3/b10-5+,11-6+
InChIKeyHJCKFTKOXIILNQ-YOYBCKCWSA-N
XLogP1.80
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol?
The IUPAC name of (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol (CID 145195522) is (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol.
What is the SMILES notation for (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol?
The canonical SMILES for (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol is C=C/C=c1/c(O)c2cnccc2c(O)/c1=C/CC.
What is the InChIKey of (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol?
The InChIKey is HJCKFTKOXIILNQ-YOYBCKCWSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-5-10-11(6-4-2)15(18)13-9-16-8-7-12(13)14(10)17/h4-9,17-18H,2-3H2,1H3/b10-5+,11-6+.
What are the key properties of (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol?
(6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol has a molecular weight of 241.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol is sourced from PubChem (CID 145195522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).