(Z)-N-(ethyldiazenyl)prop-2-en-1-imine

C5H9N3 — CID 143328990

IUPAC(Z)-N-(ethyldiazenyl)prop-2-en-1-imine
SMILESC=C/C=N\N=N\CC
InChIInChI=1S/C5H9N3/c1-3-5-7-8-6-4-2/h3,5H,1,4H2,2H3/b7-5-,8-6+
InChIKeyQUWQVSZSCZSCFZ-CGXWXWIYSA-N
MW111.15 g/mol
LogP1.63
Rot. Bonds3

About (Z)-N-(ethyldiazenyl)prop-2-en-1-imine

(Z)-N-(ethyldiazenyl)prop-2-en-1-imine (PubChem CID 143328990) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (Z)-N-(ethyldiazenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(ethyldiazenyl)prop-2-en-1-imine
PubChem CID143328990
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(Z)-N-(ethyldiazenyl)prop-2-en-1-imine
SMILESC=C/C=N\N=N\CC
InChIInChI=1S/C5H9N3/c1-3-5-7-8-6-4-2/h3,5H,1,4H2,2H3/b7-5-,8-6+
InChIKeyQUWQVSZSCZSCFZ-CGXWXWIYSA-N
XLogP1.63
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(prop-2-enylideneamino)prop-2-en-1-imine
CID 88828746
(Z)-N-(ethenyldiazenyl)prop-2-en-1-imine
CID 88912393
N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
CID 90211188
(E)-N-propoxyprop-2-en-1-imine
CID 10057470
butane;N-prop-1-en-2-ylprop-2-en-1-imine
CID 144787234
N-[(Z)-prop-2-enylideneamino]propan-1-amine
CID 166786300
molecular hydrogen;N-[(Z)-prop-2-enylideneamino]ethanamine
CID 143460131
N-octylprop-2-en-1-imine
CID 174329856
N-pent-1-en-2-ylprop-2-en-1-imine
CID 142986997
buta-1,3-diene;ethane;N-ethylpropan-1-imine
CID 143326323
1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine
CID 140931948
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(ethyldiazenyl)prop-2-en-1-imine?
The IUPAC name of (Z)-N-(ethyldiazenyl)prop-2-en-1-imine (CID 143328990) is (Z)-N-(ethyldiazenyl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(ethyldiazenyl)prop-2-en-1-imine?
The canonical SMILES for (Z)-N-(ethyldiazenyl)prop-2-en-1-imine is C=C/C=N\N=N\CC.
What is the InChIKey of (Z)-N-(ethyldiazenyl)prop-2-en-1-imine?
The InChIKey is QUWQVSZSCZSCFZ-CGXWXWIYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-5-7-8-6-4-2/h3,5H,1,4H2,2H3/b7-5-,8-6+.
What are the key properties of (Z)-N-(ethyldiazenyl)prop-2-en-1-imine?
(Z)-N-(ethyldiazenyl)prop-2-en-1-imine has a molecular weight of 111.15 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(ethyldiazenyl)prop-2-en-1-imine is sourced from PubChem (CID 143328990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).