3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete

C13H14N2 — CID 145050179

IUPAC3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete
SMILESC=CC1=C(C(=C)C2=CC=C(C)CC2)N=N1
InChIInChI=1S/C13H14N2/c1-4-12-13(15-14-12)10(3)11-7-5-9(2)6-8-11/h4-5,7H,1,3,6,8H2,2H3
InChIKeyCHFSHOCBCOPEPI-UHFFFAOYSA-N
MW198.27 g/mol
LogP4.07
Rot. Bonds3

About 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete

3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete (PubChem CID 145050179) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete.

Molecular Properties

Compound Name3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete
PubChem CID145050179
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete
SMILESC=CC1=C(C(=C)C2=CC=C(C)CC2)N=N1
InChIInChI=1S/C13H14N2/c1-4-12-13(15-14-12)10(3)11-7-5-9(2)6-8-11/h4-5,7H,1,3,6,8H2,2H3
InChIKeyCHFSHOCBCOPEPI-UHFFFAOYSA-N
XLogP4.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Azidoethenyl)cyclohexene
CID 152673295
3-Azido-1-ethylcyclohexa-1,3-diene
CID 57259895
6,7,8,9-tetrahydro-3H-1,2-benzodiazepine
CID 66579751
(1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139404819
5,6-dimethylidene-2-[(Z)-prop-1-enyl]cyclohexen-1-amine
CID 144025092
ethane;propane;[2-[(Z)-prop-1-enyl]cyclohexen-1-yl]diazene
CID 144455684
ethane;[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene
CID 145441524
[(Z)-1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)prop-1-enyl]-methyldiazene
CID 153597325
[2-[(Z)-prop-1-enyl]cyclohexen-1-yl]diazene
CID 144455685
[(2E,4Z)-hexa-2,4-dien-3-yl]-(4-methylcyclohexa-1,3-dien-1-yl)diazene
CID 145441525

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete?
The IUPAC name of 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete (CID 145050179) is 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete.
What is the SMILES notation for 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete?
The canonical SMILES for 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete is C=CC1=C(C(=C)C2=CC=C(C)CC2)N=N1.
What is the InChIKey of 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete?
The InChIKey is CHFSHOCBCOPEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-4-12-13(15-14-12)10(3)11-7-5-9(2)6-8-11/h4-5,7H,1,3,6,8H2,2H3.
What are the key properties of 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete?
3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete has a molecular weight of 198.27 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 3-ethenyl-4-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]diazete is sourced from PubChem (CID 145050179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).