azidoethene;prop-1-yne

C5H7N3 — CID 123505749

IUPACazidoethene;prop-1-yne
SMILESC#CC.C=CN=[N+]=[N-]
InChIInChI=1S/C3H4.C2H3N3/c1-3-2;1-2-4-5-3/h1H,2H3;2H,1H2
InChIKeyYHHLWFVVFKFMEN-UHFFFAOYSA-N
MW109.13 g/mol
LogP2.08
Rot. Bonds1

About azidoethene;prop-1-yne

azidoethene;prop-1-yne (PubChem CID 123505749) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is azidoethene;prop-1-yne.

Molecular Properties

Compound Nameazidoethene;prop-1-yne
PubChem CID123505749
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Nameazidoethene;prop-1-yne
SMILESC#CC.C=CN=[N+]=[N-]
InChIInChI=1S/C3H4.C2H3N3/c1-3-2;1-2-4-5-3/h1H,2H3;2H,1H2
InChIKeyYHHLWFVVFKFMEN-UHFFFAOYSA-N
XLogP2.08
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

azidoethene
CID 12841953
propane;prop-1-ene;prop-1-yne
CID 144517597
(Z)-1-azidoprop-1-ene
CID 151444800
methane;prop-1-yne
CID 157284750
(1E,3E)-1,4-diazidobuta-1,3-diene
CID 101095343
4-azidohex-5-en-1-yn-3-amine
CID 175452506
(E)-1-azidobut-1-ene
CID 131238126
(1Z)-1-azidobuta-1,3-diene;(Z)-but-2-ene;methane;oxirane
CID 158828085
acetylene;ethane;ethene;methane;prop-1-yne
CID 162268690
3-azido-4-prop-2-ynoxybut-1-ene
CID 138982903
but-1-en-3-yne;methanol
CID 158856275
azidomethane;butane;methanimine;prop-1-ene
CID 162290047

Frequently Asked Questions

What is the IUPAC name of azidoethene;prop-1-yne?
The IUPAC name of azidoethene;prop-1-yne (CID 123505749) is azidoethene;prop-1-yne.
What is the SMILES notation for azidoethene;prop-1-yne?
The canonical SMILES for azidoethene;prop-1-yne is C#CC.C=CN=[N+]=[N-].
What is the InChIKey of azidoethene;prop-1-yne?
The InChIKey is YHHLWFVVFKFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.C2H3N3/c1-3-2;1-2-4-5-3/h1H,2H3;2H,1H2.
What are the key properties of azidoethene;prop-1-yne?
azidoethene;prop-1-yne has a molecular weight of 109.13 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azidoethene;prop-1-yne is sourced from PubChem (CID 123505749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).