ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene

C13H22N2 — CID 165119765

IUPACethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene
SMILESC=c1cccc/c1=C/N=N/C.CC.CC
InChIInChI=1S/C9H10N2.2C2H6/c1-8-5-3-4-6-9(8)7-11-10-2;2*1-2/h3-7H,1H2,2H3;2*1-2H3/b9-7-,11-10+;;
InChIKeyYQPYQCHVEBLNPV-QRTWSPRLSA-N
MW206.33 g/mol
LogP2.97
Rot. Bonds1

About ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene

ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene (PubChem CID 165119765) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene.

Molecular Properties

Compound Nameethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene
PubChem CID165119765
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene
SMILESC=c1cccc/c1=C/N=N/C.CC.CC
InChIInChI=1S/C9H10N2.2C2H6/c1-8-5-3-4-6-9(8)7-11-10-2;2*1-2/h3-7H,1H2,2H3;2*1-2H3/b9-7-,11-10+;;
InChIKeyYQPYQCHVEBLNPV-QRTWSPRLSA-N
XLogP2.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.97
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 ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene?
The IUPAC name of ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene (CID 165119765) is ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene.
What is the SMILES notation for ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene?
The canonical SMILES for ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene is C=c1cccc/c1=C/N=N/C.CC.CC.
What is the InChIKey of ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene?
The InChIKey is YQPYQCHVEBLNPV-QRTWSPRLSA-N. The full InChI is InChI=1S/C9H10N2.2C2H6/c1-8-5-3-4-6-9(8)7-11-10-2;2*1-2/h3-7H,1H2,2H3;2*1-2H3/b9-7-,11-10+;;.
What are the key properties of ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene?
ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene has a molecular weight of 206.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene is sourced from PubChem (CID 165119765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).