(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole

C10H13N — CID 88996931

IUPAC(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole
SMILESC=C/C=C\C=C1/CC=CN1C
InChIInChI=1S/C10H13N/c1-3-4-5-7-10-8-6-9-11(10)2/h3-7,9H,1,8H2,2H3/b5-4-,10-7+
InChIKeyHAZBNKUBOJOQEG-DOIONKORSA-N
MW147.22 g/mol
LogP2.46
Rot. Bonds2

About (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole

(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole (PubChem CID 88996931) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole.

Molecular Properties

Compound Name(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole
PubChem CID88996931
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole
SMILESC=C/C=C\C=C1/CC=CN1C
InChIInChI=1S/C10H13N/c1-3-4-5-7-10-8-6-9-11(10)2/h3-7,9H,1,8H2,2H3/b5-4-,10-7+
InChIKeyHAZBNKUBOJOQEG-DOIONKORSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
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)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole?
The IUPAC name of (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole (CID 88996931) is (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole.
What is the SMILES notation for (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole?
The canonical SMILES for (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole is C=C/C=C\C=C1/CC=CN1C.
What is the InChIKey of (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole?
The InChIKey is HAZBNKUBOJOQEG-DOIONKORSA-N. The full InChI is InChI=1S/C10H13N/c1-3-4-5-7-10-8-6-9-11(10)2/h3-7,9H,1,8H2,2H3/b5-4-,10-7+.
What are the key properties of (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole?
(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]-3H-pyrrole is sourced from PubChem (CID 88996931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).