(3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole

C9H11N — CID 88542839

IUPAC(3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole
SMILESC=C/C=C1/CN=C/C1=C/C
InChIInChI=1S/C9H11N/c1-3-5-9-7-10-6-8(9)4-2/h3-6H,1,7H2,2H3/b8-4-,9-5-
InChIKeyLGWXUDLTJPVUMU-XEQVNJCQSA-N
MW133.19 g/mol
LogP2.13
Rot. Bonds1

About (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole

(3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole (PubChem CID 88542839) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole.

Molecular Properties

Compound Name(3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole
PubChem CID88542839
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole
SMILESC=C/C=C1/CN=C/C1=C/C
InChIInChI=1S/C9H11N/c1-3-5-9-7-10-6-8(9)4-2/h3-6H,1,7H2,2H3/b8-4-,9-5-
InChIKeyLGWXUDLTJPVUMU-XEQVNJCQSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole?
The IUPAC name of (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole (CID 88542839) is (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole.
What is the SMILES notation for (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole?
The canonical SMILES for (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole is C=C/C=C1/CN=C/C1=C/C.
What is the InChIKey of (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole?
The InChIKey is LGWXUDLTJPVUMU-XEQVNJCQSA-N. The full InChI is InChI=1S/C9H11N/c1-3-5-9-7-10-6-8(9)4-2/h3-6H,1,7H2,2H3/b8-4-,9-5-.
What are the key properties of (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole?
(3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole has a molecular weight of 133.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-4-ethylidene-3-prop-2-enylidene-2H-pyrrole is sourced from PubChem (CID 88542839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).