2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete

C11H15N — CID 89351745

IUPAC2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete
SMILESC/C=C(/C)C(C1=NC=C1)=C(C)C
InChIInChI=1S/C11H15N/c1-5-9(4)11(8(2)3)10-6-7-12-10/h5-7H,1-4H3/b9-5-
InChIKeyFVDRVFHMMMILLD-UITAMQMPSA-N
MW161.25 g/mol
LogP3.26
Rot. Bonds2

About 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete

2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete (PubChem CID 89351745) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete.

Molecular Properties

Compound Name2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete
PubChem CID89351745
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete
SMILESC/C=C(/C)C(C1=NC=C1)=C(C)C
InChIInChI=1S/C11H15N/c1-5-9(4)11(8(2)3)10-6-7-12-10/h5-7H,1-4H3/b9-5-
InChIKeyFVDRVFHMMMILLD-UITAMQMPSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete?
The IUPAC name of 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete (CID 89351745) is 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete.
What is the SMILES notation for 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete?
The canonical SMILES for 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete is C/C=C(/C)C(C1=NC=C1)=C(C)C.
What is the InChIKey of 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete?
The InChIKey is FVDRVFHMMMILLD-UITAMQMPSA-N. The full InChI is InChI=1S/C11H15N/c1-5-9(4)11(8(2)3)10-6-7-12-10/h5-7H,1-4H3/b9-5-.
What are the key properties of 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete?
2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete has a molecular weight of 161.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete is sourced from PubChem (CID 89351745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).