N'-but-3-en-2-ylethane-1,2-diimine

C6H10N2 — CID 118123151

IUPACN'-but-3-en-2-ylethane-1,2-diimine
SMILES[H]/N=C/C=N/C(C)C=C
InChIInChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-7H,1H2,2H3/b7-4+,8-5+
InChIKeyGDYJTAPFDSISHQ-NSLJXJERSA-N
MW110.16 g/mol
LogP1.28
Rot. Bonds3

About N'-but-3-en-2-ylethane-1,2-diimine

N'-but-3-en-2-ylethane-1,2-diimine (PubChem CID 118123151) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-but-3-en-2-ylethane-1,2-diimine.

Molecular Properties

Compound NameN'-but-3-en-2-ylethane-1,2-diimine
PubChem CID118123151
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-but-3-en-2-ylethane-1,2-diimine
SMILES[H]/N=C/C=N/C(C)C=C
InChIInChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-7H,1H2,2H3/b7-4+,8-5+
InChIKeyGDYJTAPFDSISHQ-NSLJXJERSA-N
XLogP1.28
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-but-3-en-2-ylethane-1,2-diimine?
The IUPAC name of N'-but-3-en-2-ylethane-1,2-diimine (CID 118123151) is N'-but-3-en-2-ylethane-1,2-diimine.
What is the SMILES notation for N'-but-3-en-2-ylethane-1,2-diimine?
The canonical SMILES for N'-but-3-en-2-ylethane-1,2-diimine is [H]/N=C/C=N/C(C)C=C.
What is the InChIKey of N'-but-3-en-2-ylethane-1,2-diimine?
The InChIKey is GDYJTAPFDSISHQ-NSLJXJERSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-7H,1H2,2H3/b7-4+,8-5+.
What are the key properties of N'-but-3-en-2-ylethane-1,2-diimine?
N'-but-3-en-2-ylethane-1,2-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-en-2-ylethane-1,2-diimine is sourced from PubChem (CID 118123151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).