methyl-methylidene-prop-1-en-2-ylazanium

C5H10N+ — CID 123573311

IUPACmethyl-methylidene-prop-1-en-2-ylazanium
SMILESC=C(C)[N+](=C)C
InChIInChI=1S/C5H10N/c1-5(2)6(3)4/h1,3H2,2,4H3/q+1
InChIKeyJCJAFFJCFOOIBN-UHFFFAOYSA-N
MW84.14 g/mol
LogP0.86
Rot. Bonds1

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

methyl-methylidene-prop-1-en-2-ylazanium (PubChem CID 123573311) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is methyl-methylidene-prop-1-en-2-ylazanium.

Molecular Properties

Compound Namemethyl-methylidene-prop-1-en-2-ylazanium
PubChem CID123573311
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Namemethyl-methylidene-prop-1-en-2-ylazanium
SMILESC=C(C)[N+](=C)C
InChIInChI=1S/C5H10N/c1-5(2)6(3)4/h1,3H2,2,4H3/q+1
InChIKeyJCJAFFJCFOOIBN-UHFFFAOYSA-N
XLogP0.86
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-methylidene-prop-1-en-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-methylidene-prop-1-en-2-ylazanium
CID 123887458
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420
dimethyl(methylidene)azanium;hydroiodide
CID 45051693
prop-1-ene-2-tellurol
CID 102012383
lithium;hydride;2-methylprop-1-ene
CID 174274839
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
CID 88736476
CID 88736476
acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea
CID 161136995
1,1,2-trifluoro-3-methylbuta-1,3-diene
CID 18520937
(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium
CID 166145401
2-methanidylprop-1-ene;nickel
CID 173298029

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-prop-1-en-2-ylazanium?
The IUPAC name of methyl-methylidene-prop-1-en-2-ylazanium (CID 123573311) is methyl-methylidene-prop-1-en-2-ylazanium.
What is the SMILES notation for methyl-methylidene-prop-1-en-2-ylazanium?
The canonical SMILES for methyl-methylidene-prop-1-en-2-ylazanium is C=C(C)[N+](=C)C.
What is the InChIKey of methyl-methylidene-prop-1-en-2-ylazanium?
The InChIKey is JCJAFFJCFOOIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N/c1-5(2)6(3)4/h1,3H2,2,4H3/q+1.
What are the key properties of methyl-methylidene-prop-1-en-2-ylazanium?
methyl-methylidene-prop-1-en-2-ylazanium has a molecular weight of 84.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-prop-1-en-2-ylazanium is sourced from PubChem (CID 123573311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).