(3-methylcyclopropen-1-yl)-methylidyneazanium

C5H6N+ — CID 163766386

IUPAC(3-methylcyclopropen-1-yl)-methylidyneazanium
SMILESC#[N+]C1=CC1C
InChIInChI=1S/C5H6N/c1-4-3-5(4)6-2/h2-4H,1H3/q+1
InChIKeyMCQHQDQOVLPOSZ-UHFFFAOYSA-N
MW80.11 g/mol
LogP1.48
Rot. Bonds

About (3-methylcyclopropen-1-yl)-methylidyneazanium

(3-methylcyclopropen-1-yl)-methylidyneazanium (PubChem CID 163766386) has the molecular formula C5H6N+ and a molecular weight of 80.11 g/mol. Its IUPAC name is (3-methylcyclopropen-1-yl)-methylidyneazanium.

Molecular Properties

Compound Name(3-methylcyclopropen-1-yl)-methylidyneazanium
PubChem CID163766386
Molecular FormulaC5H6N+
Molecular Weight80.11 g/mol
Exact Mass80.05
IUPAC Name(3-methylcyclopropen-1-yl)-methylidyneazanium
SMILESC#[N+]C1=CC1C
InChIInChI=1S/C5H6N/c1-4-3-5(4)6-2/h2-4H,1H3/q+1
InChIKeyMCQHQDQOVLPOSZ-UHFFFAOYSA-N
XLogP1.48
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.11
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopropen-1-yl)-methylidyneazanium?
The IUPAC name of (3-methylcyclopropen-1-yl)-methylidyneazanium (CID 163766386) is (3-methylcyclopropen-1-yl)-methylidyneazanium.
What is the SMILES notation for (3-methylcyclopropen-1-yl)-methylidyneazanium?
The canonical SMILES for (3-methylcyclopropen-1-yl)-methylidyneazanium is C#[N+]C1=CC1C.
What is the InChIKey of (3-methylcyclopropen-1-yl)-methylidyneazanium?
The InChIKey is MCQHQDQOVLPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N/c1-4-3-5(4)6-2/h2-4H,1H3/q+1.
What are the key properties of (3-methylcyclopropen-1-yl)-methylidyneazanium?
(3-methylcyclopropen-1-yl)-methylidyneazanium has a molecular weight of 80.11 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopropen-1-yl)-methylidyneazanium is sourced from PubChem (CID 163766386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).