(Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine

C6H8N2 — CID 118422254

IUPAC(Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine
SMILESCC#C/C=N\N=C/C
InChIInChI=1S/C6H8N2/c1-3-5-6-8-7-4-2/h4,6H,1-2H3/b7-4-,8-6-
InChIKeyFTOUPQFUQBNRDI-TXHKFLPISA-N
MW108.14 g/mol
LogP1.09
Rot. Bonds1

About (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine

(Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine (PubChem CID 118422254) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine
PubChem CID118422254
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine
SMILESCC#C/C=N\N=C/C
InChIInChI=1S/C6H8N2/c1-3-5-6-8-7-4-2/h4,6H,1-2H3/b7-4-,8-6-
InChIKeyFTOUPQFUQBNRDI-TXHKFLPISA-N
XLogP1.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine?
The IUPAC name of (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine (CID 118422254) is (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine?
The canonical SMILES for (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine is CC#C/C=N\N=C/C.
What is the InChIKey of (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine?
The InChIKey is FTOUPQFUQBNRDI-TXHKFLPISA-N. The full InChI is InChI=1S/C6H8N2/c1-3-5-6-8-7-4-2/h4,6H,1-2H3/b7-4-,8-6-.
What are the key properties of (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine?
(Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine has a molecular weight of 108.14 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-ethylideneamino]but-2-yn-1-imine is sourced from PubChem (CID 118422254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).