(4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene

C10H14N2 — CID 123908546

IUPAC(4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene
SMILESC=C(C)/N=N/C=CC(=C)C(=C)C
InChIInChI=1S/C10H14N2/c1-8(2)10(5)6-7-11-12-9(3)4/h6-7H,1,3,5H2,2,4H3/b7-6?,12-11+
InChIKeyYJAATHPPHMWADV-MBYXZZKVSA-N
MW162.24 g/mol
LogP3.62
Rot. Bonds4

About (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene

(4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene (PubChem CID 123908546) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene.

Molecular Properties

Compound Name(4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene
PubChem CID123908546
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene
SMILESC=C(C)/N=N/C=CC(=C)C(=C)C
InChIInChI=1S/C10H14N2/c1-8(2)10(5)6-7-11-12-9(3)4/h6-7H,1,3,5H2,2,4H3/b7-6?,12-11+
InChIKeyYJAATHPPHMWADV-MBYXZZKVSA-N
XLogP3.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene?
The IUPAC name of (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene (CID 123908546) is (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene.
What is the SMILES notation for (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene?
The canonical SMILES for (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene is C=C(C)/N=N/C=CC(=C)C(=C)C.
What is the InChIKey of (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene?
The InChIKey is YJAATHPPHMWADV-MBYXZZKVSA-N. The full InChI is InChI=1S/C10H14N2/c1-8(2)10(5)6-7-11-12-9(3)4/h6-7H,1,3,5H2,2,4H3/b7-6?,12-11+.
What are the key properties of (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene?
(4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene has a molecular weight of 162.24 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-methylidenepenta-1,4-dienyl)-prop-1-en-2-yldiazene is sourced from PubChem (CID 123908546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).