7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline

C17H19NO2 — CID 132540560

IUPAC7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline
SMILESC=CCC1c2cc(OC)c(OC)cc2Cn2cccc21
InChIInChI=1S/C17H19NO2/c1-4-6-13-14-10-17(20-3)16(19-2)9-12(14)11-18-8-5-7-15(13)18/h4-5,7-10,13H,1,6,11H2,2-3H3
InChIKeyYROSADAKOSGNJN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.58
Rot. Bonds4

About 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline

7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline (PubChem CID 132540560) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline
PubChem CID132540560
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline
SMILESC=CCC1c2cc(OC)c(OC)cc2Cn2cccc21
InChIInChI=1S/C17H19NO2/c1-4-6-13-14-10-17(20-3)16(19-2)9-12(14)11-18-8-5-7-15(13)18/h4-5,7-10,13H,1,6,11H2,2-3H3
InChIKeyYROSADAKOSGNJN-UHFFFAOYSA-N
XLogP3.58
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline?
The IUPAC name of 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline (CID 132540560) is 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline.
What is the SMILES notation for 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline?
The canonical SMILES for 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline is C=CCC1c2cc(OC)c(OC)cc2Cn2cccc21.
What is the InChIKey of 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline?
The InChIKey is YROSADAKOSGNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-6-13-14-10-17(20-3)16(19-2)9-12(14)11-18-8-5-7-15(13)18/h4-5,7-10,13H,1,6,11H2,2-3H3.
What are the key properties of 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline?
7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline has a molecular weight of 269.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline is sourced from PubChem (CID 132540560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).