(2-ethenylcyclopropyl)methyl-methylidyneazanium

C7H10N+ — CID 163459319

IUPAC(2-ethenylcyclopropyl)methyl-methylidyneazanium
SMILESC#[N+]CC1CC1C=C
InChIInChI=1S/C7H10N/c1-3-6-4-7(6)5-8-2/h2-3,6-7H,1,4-5H2/q+1
InChIKeyBFIXCMIWDQAPRJ-UHFFFAOYSA-N
MW108.16 g/mol
LogP1.77
Rot. Bonds2

About (2-ethenylcyclopropyl)methyl-methylidyneazanium

(2-ethenylcyclopropyl)methyl-methylidyneazanium (PubChem CID 163459319) has the molecular formula C7H10N+ and a molecular weight of 108.16 g/mol. Its IUPAC name is (2-ethenylcyclopropyl)methyl-methylidyneazanium.

Molecular Properties

Compound Name(2-ethenylcyclopropyl)methyl-methylidyneazanium
PubChem CID163459319
Molecular FormulaC7H10N+
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC Name(2-ethenylcyclopropyl)methyl-methylidyneazanium
SMILESC#[N+]CC1CC1C=C
InChIInChI=1S/C7H10N/c1-3-6-4-7(6)5-8-2/h2-3,6-7H,1,4-5H2/q+1
InChIKeyBFIXCMIWDQAPRJ-UHFFFAOYSA-N
XLogP1.77
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-isocyanoprop-2-enyl]cyclopropane
CID 88534538
4-(2-Isocyanoethyl)hepta-1,6-diene
CID 141112511

Frequently Asked Questions

What is the IUPAC name of (2-ethenylcyclopropyl)methyl-methylidyneazanium?
The IUPAC name of (2-ethenylcyclopropyl)methyl-methylidyneazanium (CID 163459319) is (2-ethenylcyclopropyl)methyl-methylidyneazanium.
What is the SMILES notation for (2-ethenylcyclopropyl)methyl-methylidyneazanium?
The canonical SMILES for (2-ethenylcyclopropyl)methyl-methylidyneazanium is C#[N+]CC1CC1C=C.
What is the InChIKey of (2-ethenylcyclopropyl)methyl-methylidyneazanium?
The InChIKey is BFIXCMIWDQAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N/c1-3-6-4-7(6)5-8-2/h2-3,6-7H,1,4-5H2/q+1.
What are the key properties of (2-ethenylcyclopropyl)methyl-methylidyneazanium?
(2-ethenylcyclopropyl)methyl-methylidyneazanium has a molecular weight of 108.16 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylcyclopropyl)methyl-methylidyneazanium is sourced from PubChem (CID 163459319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).