2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium

C7H10N+ — CID 123808278

IUPAC2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium
SMILESC=[N+]=CC(C)C1C=C1
InChIInChI=1S/C7H10N/c1-6(5-8-2)7-3-4-7/h3-7H,2H2,1H3/q+1
InChIKeyNREYPMYPKHYJNQ-UHFFFAOYSA-N
MW108.16 g/mol
LogP0.65
Rot. Bonds2

About 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium

2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium (PubChem CID 123808278) has the molecular formula C7H10N+ and a molecular weight of 108.16 g/mol. Its IUPAC name is 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium.

Molecular Properties

Compound Name2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium
PubChem CID123808278
Molecular FormulaC7H10N+
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC Name2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium
SMILESC=[N+]=CC(C)C1C=C1
InChIInChI=1S/C7H10N/c1-6(5-8-2)7-3-4-7/h3-7H,2H2,1H3/q+1
InChIKeyNREYPMYPKHYJNQ-UHFFFAOYSA-N
XLogP0.65
TPSA14.10 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 ≤ 50.65
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_3', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
4-Methyl-3,4-dihydropyridine
CID 14979260
3-Methyl-3,4-dihydropyridine
CID 14979268
3,4-Dimethyl-3,4-dihydropyridine
CID 22965950
(3S)-3-methyl-3,4-dihydropyridine
CID 59014450
3-propan-2-yl-3H-pyrrole
CID 59104305
(3R,4R)-3,4-dimethyl-3,4-dihydropyridine
CID 59584680
(3S)-3,4-dimethyl-3,4-dihydropyridine
CID 89385262
(E)-N,2-dimethylhex-4-en-1-imine
CID 89899370
N-methylpent-4-en-1-imine
CID 91030536
3-ethenyl-3,4-dihydro-2H-pyrrole
CID 91530232

Frequently Asked Questions

What is the IUPAC name of 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium?
The IUPAC name of 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium (CID 123808278) is 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium.
What is the SMILES notation for 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium?
The canonical SMILES for 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium is C=[N+]=CC(C)C1C=C1.
What is the InChIKey of 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium?
The InChIKey is NREYPMYPKHYJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N/c1-6(5-8-2)7-3-4-7/h3-7H,2H2,1H3/q+1.
What are the key properties of 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium?
2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium has a molecular weight of 108.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloprop-2-en-1-ylpropylidene(methylidene)azanium is sourced from PubChem (CID 123808278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).