1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

C19H20N2 — CID 142133205

IUPAC1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESC=C/C=C(\C=C)CN1CCc2cc3cc(C)ccc3nc21
InChIInChI=1S/C19H20N2/c1-4-6-15(5-2)13-21-10-9-16-12-17-11-14(3)7-8-18(17)20-19(16)21/h4-8,11-12H,1-2,9-10,13H2,3H3/b15-6+
InChIKeyXPOZPGLXTOTNAQ-GIDUJCDVSA-N
MW276.38 g/mol
LogP4.20
Rot. Bonds4

About 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 142133205) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID142133205
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESC=C/C=C(\C=C)CN1CCc2cc3cc(C)ccc3nc21
InChIInChI=1S/C19H20N2/c1-4-6-15(5-2)13-21-10-9-16-12-17-11-14(3)7-8-18(17)20-19(16)21/h4-8,11-12H,1-2,9-10,13H2,3H3/b15-6+
InChIKeyXPOZPGLXTOTNAQ-GIDUJCDVSA-N
XLogP4.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 142133205) is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is C=C/C=C(\C=C)CN1CCc2cc3cc(C)ccc3nc21.
What is the InChIKey of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is XPOZPGLXTOTNAQ-GIDUJCDVSA-N. The full InChI is InChI=1S/C19H20N2/c1-4-6-15(5-2)13-21-10-9-16-12-17-11-14(3)7-8-18(17)20-19(16)21/h4-8,11-12H,1-2,9-10,13H2,3H3/b15-6+.
What are the key properties of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 276.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 142133205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).