(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine

C12H15N — CID 89125599

IUPAC(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine
SMILESC=C/C(=C\C=C1\C=NC=CC1)CC
InChIInChI=1S/C12H15N/c1-3-11(4-2)7-8-12-6-5-9-13-10-12/h3,5,7-10H,1,4,6H2,2H3/b11-7+,12-8+
InChIKeyNITRGCRIGZYQHO-MKICQXMISA-N
MW173.26 g/mol
LogP3.42
Rot. Bonds3

About (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine

(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine (PubChem CID 89125599) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine.

Molecular Properties

Compound Name(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine
PubChem CID89125599
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine
SMILESC=C/C(=C\C=C1\C=NC=CC1)CC
InChIInChI=1S/C12H15N/c1-3-11(4-2)7-8-12-6-5-9-13-10-12/h3,5,7-10H,1,4,6H2,2H3/b11-7+,12-8+
InChIKeyNITRGCRIGZYQHO-MKICQXMISA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.42
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 (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine?
The IUPAC name of (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine (CID 89125599) is (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine.
What is the SMILES notation for (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine?
The canonical SMILES for (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine is C=C/C(=C\C=C1\C=NC=CC1)CC.
What is the InChIKey of (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine?
The InChIKey is NITRGCRIGZYQHO-MKICQXMISA-N. The full InChI is InChI=1S/C12H15N/c1-3-11(4-2)7-8-12-6-5-9-13-10-12/h3,5,7-10H,1,4,6H2,2H3/b11-7+,12-8+.
What are the key properties of (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine?
(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine has a molecular weight of 173.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine is sourced from PubChem (CID 89125599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).