2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline

C17H19N3 — CID 20661818

IUPAC2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline
SMILESC=CCC1=C(C)N(CC=C)C2N=c3ccccc3=NC12
InChIInChI=1S/C17H19N3/c1-4-8-13-12(3)20(11-5-2)17-16(13)18-14-9-6-7-10-15(14)19-17/h4-7,9-10,16-17H,1-2,8,11H2,3H3
InChIKeyYYFWWLLTGKRIOQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline

2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline (PubChem CID 20661818) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline
PubChem CID20661818
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline
SMILESC=CCC1=C(C)N(CC=C)C2N=c3ccccc3=NC12
InChIInChI=1S/C17H19N3/c1-4-8-13-12(3)20(11-5-2)17-16(13)18-14-9-6-7-10-15(14)19-17/h4-7,9-10,16-17H,1-2,8,11H2,3H3
InChIKeyYYFWWLLTGKRIOQ-UHFFFAOYSA-N
XLogP1.99
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 89670415
2-Methyl-1-pentan-2-yl-7,8-dihydrobenzo[cd]indol-1-ium
CID 89721987
2-[(1E,3Z)-cycloocta-1,3,6-trien-1-yl]-3-(6-methyl-2,3-dihydropyridin-2-yl)-2,3a-dihydrobenzimidazole;ethane
CID 144569188
5-Butyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152782800
2-Tert-butyl-3-methyl-1,3,4,6-tetrahydropyrido[3,4-b]indole
CID 174173668
2-Pentyl-3,4-dihydropyrido[3,4-b]indole
CID 174791012
2-Pentyl-3,4-dihydropyrido[3,4-b]indole;hydrobromide
CID 174791038
2-[(1E,3Z)-cycloocta-1,3,6-trien-1-yl]-3-(6-methyl-2,3-dihydropyridin-2-yl)-2,3a-dihydrobenzimidazole
CID 144569189
7-Butyl-11a,12a-dihydrobenzimidazolo[1,2-a]quinolin-7-ium-3-amine
CID 158263487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline?
The IUPAC name of 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline (CID 20661818) is 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline.
What is the SMILES notation for 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline?
The canonical SMILES for 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline is C=CCC1=C(C)N(CC=C)C2N=c3ccccc3=NC12.
What is the InChIKey of 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline?
The InChIKey is YYFWWLLTGKRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-8-13-12(3)20(11-5-2)17-16(13)18-14-9-6-7-10-15(14)19-17/h4-7,9-10,16-17H,1-2,8,11H2,3H3.
What are the key properties of 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline?
2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline has a molecular weight of 265.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(prop-2-enyl)-3a,9a-dihydropyrrolo[3,2-b]quinoxaline is sourced from PubChem (CID 20661818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).