ethylidene-methyl-prop-1-en-2-ylazanium

C6H11N — CID 158142859

IUPACethylidene-methyl-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=[C-]/C
InChIInChI=1S/C6H11N/c1-5-7(4)6(2)3/h2H2,1,3-4H3
InChIKeyWZANPPAONBOYTN-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.13
Rot. Bonds1

About ethylidene-methyl-prop-1-en-2-ylazanium

ethylidene-methyl-prop-1-en-2-ylazanium (PubChem CID 158142859) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is ethylidene-methyl-prop-1-en-2-ylazanium.

Molecular Properties

Compound Nameethylidene-methyl-prop-1-en-2-ylazanium
PubChem CID158142859
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Nameethylidene-methyl-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=[C-]/C
InChIInChI=1S/C6H11N/c1-5-7(4)6(2)3/h2H2,1,3-4H3
InChIKeyWZANPPAONBOYTN-UHFFFAOYSA-N
XLogP1.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylidene-methyl-prop-1-en-2-ylazanium?
The IUPAC name of ethylidene-methyl-prop-1-en-2-ylazanium (CID 158142859) is ethylidene-methyl-prop-1-en-2-ylazanium.
What is the SMILES notation for ethylidene-methyl-prop-1-en-2-ylazanium?
The canonical SMILES for ethylidene-methyl-prop-1-en-2-ylazanium is C=C(C)/[N+](C)=[C-]/C.
What is the InChIKey of ethylidene-methyl-prop-1-en-2-ylazanium?
The InChIKey is WZANPPAONBOYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5-7(4)6(2)3/h2H2,1,3-4H3.
What are the key properties of ethylidene-methyl-prop-1-en-2-ylazanium?
ethylidene-methyl-prop-1-en-2-ylazanium has a molecular weight of 97.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-methyl-prop-1-en-2-ylazanium is sourced from PubChem (CID 158142859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).