N-[(1E)-penta-1,4-dienyl]aniline

C11H13N — CID 142183076

IUPACN-[(1E)-penta-1,4-dienyl]aniline
SMILESC=CC/C=C/Nc1ccccc1
InChIInChI=1S/C11H13N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2,4-10,12H,1,3H2/b10-7+
InChIKeyMZHIXWVJXCCQMM-JXMROGBWSA-N
MW159.23 g/mol
LogP3.19
Rot. Bonds4

About N-[(1E)-penta-1,4-dienyl]aniline

N-[(1E)-penta-1,4-dienyl]aniline (PubChem CID 142183076) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[(1E)-penta-1,4-dienyl]aniline.

Molecular Properties

Compound NameN-[(1E)-penta-1,4-dienyl]aniline
PubChem CID142183076
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-[(1E)-penta-1,4-dienyl]aniline
SMILESC=CC/C=C/Nc1ccccc1
InChIInChI=1S/C11H13N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2,4-10,12H,1,3H2/b10-7+
InChIKeyMZHIXWVJXCCQMM-JXMROGBWSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-penta-1,4-dienyl]aniline?
The IUPAC name of N-[(1E)-penta-1,4-dienyl]aniline (CID 142183076) is N-[(1E)-penta-1,4-dienyl]aniline.
What is the SMILES notation for N-[(1E)-penta-1,4-dienyl]aniline?
The canonical SMILES for N-[(1E)-penta-1,4-dienyl]aniline is C=CC/C=C/Nc1ccccc1.
What is the InChIKey of N-[(1E)-penta-1,4-dienyl]aniline?
The InChIKey is MZHIXWVJXCCQMM-JXMROGBWSA-N. The full InChI is InChI=1S/C11H13N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2,4-10,12H,1,3H2/b10-7+.
What are the key properties of N-[(1E)-penta-1,4-dienyl]aniline?
N-[(1E)-penta-1,4-dienyl]aniline has a molecular weight of 159.23 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-penta-1,4-dienyl]aniline is sourced from PubChem (CID 142183076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).