2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium

C10H14N+ — CID 123356199

IUPAC2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium
SMILESC=CC=C(C)[N+]1=C(C)C(C)=C1
InChIInChI=1S/C10H14N/c1-5-6-9(3)11-7-8(2)10(11)4/h5-7H,1H2,2-4H3/q+1
InChIKeyRHAZHEBBZCBWIS-UHFFFAOYSA-N
MW148.23 g/mol
LogP2.47
Rot. Bonds2

About 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium

2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium (PubChem CID 123356199) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium.

Molecular Properties

Compound Name2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium
PubChem CID123356199
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium
SMILESC=CC=C(C)[N+]1=C(C)C(C)=C1
InChIInChI=1S/C10H14N/c1-5-6-9(3)11-7-8(2)10(11)4/h5-7H,1H2,2-4H3/q+1
InChIKeyRHAZHEBBZCBWIS-UHFFFAOYSA-N
XLogP2.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete
CID 89351745
Methyl-(3-methylhepta-1,3,5-trienyl)-propan-2-ylideneazanium
CID 123423978
(4,6-Dimethyl-3-methylideneocta-4,6-dien-2-ylidene)-methyl-prop-1-enylazanium
CID 123453531
Methyl-(4-methyl-3-methylidenehex-4-en-2-ylidene)-prop-1-enylazanium
CID 123563926
N-[(1Z)-3-methylpenta-1,3-dienyl]propan-2-imine
CID 123578882
Methyl-(4-methyl-3-methylidenehepta-4,6-dien-2-ylidene)-prop-1-enylazanium
CID 123815184
(4Z)-3-methylidene-N-[(Z)-prop-1-enyl]hepta-4,6-dien-2-imine
CID 124198737
N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine
CID 126637214
(Z)-N-ethenyl-3-methylidenehex-4-en-2-imine
CID 130193557
N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]butan-2-imine
CID 138512369
(4Z)-N,4-bis(ethenyl)hexa-1,4-dien-3-imine
CID 143652461
(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine
CID 143833244

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium?
The IUPAC name of 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium (CID 123356199) is 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium.
What is the SMILES notation for 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium?
The canonical SMILES for 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium is C=CC=C(C)[N+]1=C(C)C(C)=C1.
What is the InChIKey of 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium?
The InChIKey is RHAZHEBBZCBWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-5-6-9(3)11-7-8(2)10(11)4/h5-7H,1H2,2-4H3/q+1.
What are the key properties of 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium?
2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium has a molecular weight of 148.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-penta-2,4-dien-2-ylazet-1-ium is sourced from PubChem (CID 123356199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).