(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole

C9H11N — CID 122519104

IUPAC(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole
SMILESC=C/C=C\C=C1/CC=CN1
InChIInChI=1S/C9H11N/c1-2-3-4-6-9-7-5-8-10-9/h2-6,8,10H,1,7H2/b4-3-,9-6+
InChIKeyLEPWGZFHWFXQLU-ZNUQQGBJSA-N
MW133.19 g/mol
LogP2.12
Rot. Bonds2

About (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole

(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole (PubChem CID 122519104) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole.

Molecular Properties

Compound Name(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole
PubChem CID122519104
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole
SMILESC=C/C=C\C=C1/CC=CN1
InChIInChI=1S/C9H11N/c1-2-3-4-6-9-7-5-8-10-9/h2-6,8,10H,1,7H2/b4-3-,9-6+
InChIKeyLEPWGZFHWFXQLU-ZNUQQGBJSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole?
The IUPAC name of (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole (CID 122519104) is (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole.
What is the SMILES notation for (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole?
The canonical SMILES for (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole is C=C/C=C\C=C1/CC=CN1.
What is the InChIKey of (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole?
The InChIKey is LEPWGZFHWFXQLU-ZNUQQGBJSA-N. The full InChI is InChI=1S/C9H11N/c1-2-3-4-6-9-7-5-8-10-9/h2-6,8,10H,1,7H2/b4-3-,9-6+.
What are the key properties of (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole?
(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole has a molecular weight of 133.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole is sourced from PubChem (CID 122519104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).