but-2-enyl-ethylidene-methylazanium

C7H14N+ — CID 123210882

IUPACbut-2-enyl-ethylidene-methylazanium
SMILESCC=CC/[N+](C)=C/C
InChIInChI=1S/C7H14N/c1-4-6-7-8(3)5-2/h4-6H,7H2,1-3H3/q+1/b6-4?,8-5+
InChIKeyAVDQBQCWOCLRAI-ZDAFHCPXSA-N
MW112.20 g/mol
LogP1.30
Rot. Bonds2

About but-2-enyl-ethylidene-methylazanium

but-2-enyl-ethylidene-methylazanium (PubChem CID 123210882) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is but-2-enyl-ethylidene-methylazanium.

Molecular Properties

Compound Namebut-2-enyl-ethylidene-methylazanium
PubChem CID123210882
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Namebut-2-enyl-ethylidene-methylazanium
SMILESCC=CC/[N+](C)=C/C
InChIInChI=1S/C7H14N/c1-4-6-7-8(3)5-2/h4-6H,7H2,1-3H3/q+1/b6-4?,8-5+
InChIKeyAVDQBQCWOCLRAI-ZDAFHCPXSA-N
XLogP1.30
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-enyl-ethylidene-methylazanium?
The IUPAC name of but-2-enyl-ethylidene-methylazanium (CID 123210882) is but-2-enyl-ethylidene-methylazanium.
What is the SMILES notation for but-2-enyl-ethylidene-methylazanium?
The canonical SMILES for but-2-enyl-ethylidene-methylazanium is CC=CC/[N+](C)=C/C.
What is the InChIKey of but-2-enyl-ethylidene-methylazanium?
The InChIKey is AVDQBQCWOCLRAI-ZDAFHCPXSA-N. The full InChI is InChI=1S/C7H14N/c1-4-6-7-8(3)5-2/h4-6H,7H2,1-3H3/q+1/b6-4?,8-5+.
What are the key properties of but-2-enyl-ethylidene-methylazanium?
but-2-enyl-ethylidene-methylazanium has a molecular weight of 112.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl-ethylidene-methylazanium is sourced from PubChem (CID 123210882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).