but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene

C10H18N2 — CID 138474755

IUPACbut-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene
SMILESCC=C(C)/N=N/C(C)=C(/C)CC
InChIInChI=1S/C10H18N2/c1-6-8(3)10(5)12-11-9(4)7-2/h7H,6H2,1-5H3/b9-7?,10-8-,12-11+
InChIKeyLPUDXINXUGNHEX-LAMPSLLZSA-N
MW166.27 g/mol
LogP4.07
Rot. Bonds3

About but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene

but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene (PubChem CID 138474755) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene.

Molecular Properties

Compound Namebut-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene
PubChem CID138474755
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Namebut-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene
SMILESCC=C(C)/N=N/C(C)=C(/C)CC
InChIInChI=1S/C10H18N2/c1-6-8(3)10(5)12-11-9(4)7-2/h7H,6H2,1-5H3/b9-7?,10-8-,12-11+
InChIKeyLPUDXINXUGNHEX-LAMPSLLZSA-N
XLogP4.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 54.07
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'}

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Frequently Asked Questions

What is the IUPAC name of but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene?
The IUPAC name of but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene (CID 138474755) is but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene.
What is the SMILES notation for but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene?
The canonical SMILES for but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene is CC=C(C)/N=N/C(C)=C(/C)CC.
What is the InChIKey of but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene?
The InChIKey is LPUDXINXUGNHEX-LAMPSLLZSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8(3)10(5)12-11-9(4)7-2/h7H,6H2,1-5H3/b9-7?,10-8-,12-11+.
What are the key properties of but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene?
but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene has a molecular weight of 166.27 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yl-[(Z)-3-methylpent-2-en-2-yl]diazene is sourced from PubChem (CID 138474755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).