methylidyne-[(Z)-pent-3-enyl]azanium

C6H10N+ — CID 163711859

IUPACmethylidyne-[(Z)-pent-3-enyl]azanium
SMILESC#[N+]CC/C=C\C
InChIInChI=1S/C6H10N/c1-3-4-5-6-7-2/h2-4H,5-6H2,1H3/q+1/b4-3-
InChIKeyGJVVJZXLNVVPBR-ARJAWSKDSA-N
MW96.15 g/mol
LogP1.92
Rot. Bonds2

About methylidyne-[(Z)-pent-3-enyl]azanium

methylidyne-[(Z)-pent-3-enyl]azanium (PubChem CID 163711859) has the molecular formula C6H10N+ and a molecular weight of 96.15 g/mol. Its IUPAC name is methylidyne-[(Z)-pent-3-enyl]azanium.

Molecular Properties

Compound Namemethylidyne-[(Z)-pent-3-enyl]azanium
PubChem CID163711859
Molecular FormulaC6H10N+
Molecular Weight96.15 g/mol
Exact Mass96.08
IUPAC Namemethylidyne-[(Z)-pent-3-enyl]azanium
SMILESC#[N+]CC/C=C\C
InChIInChI=1S/C6H10N/c1-3-4-5-6-7-2/h2-4H,5-6H2,1H3/q+1/b4-3-
InChIKeyGJVVJZXLNVVPBR-ARJAWSKDSA-N
XLogP1.92
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylidyne-[(Z)-pent-3-enyl]azanium?
The IUPAC name of methylidyne-[(Z)-pent-3-enyl]azanium (CID 163711859) is methylidyne-[(Z)-pent-3-enyl]azanium.
What is the SMILES notation for methylidyne-[(Z)-pent-3-enyl]azanium?
The canonical SMILES for methylidyne-[(Z)-pent-3-enyl]azanium is C#[N+]CC/C=C\C.
What is the InChIKey of methylidyne-[(Z)-pent-3-enyl]azanium?
The InChIKey is GJVVJZXLNVVPBR-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10N/c1-3-4-5-6-7-2/h2-4H,5-6H2,1H3/q+1/b4-3-.
What are the key properties of methylidyne-[(Z)-pent-3-enyl]azanium?
methylidyne-[(Z)-pent-3-enyl]azanium has a molecular weight of 96.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[(Z)-pent-3-enyl]azanium is sourced from PubChem (CID 163711859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).