N'-[(Z)-but-1-enyl]ethane-1,2-diimine

C6H10N2 — CID 89425018

IUPACN'-[(Z)-but-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C\CC
InChIInChI=1S/C6H10N2/c1-2-3-5-8-6-4-7/h3-7H,2H2,1H3/b5-3-,7-4+,8-6+
InChIKeyBDXWDJKWJFAZHQ-MCEUHYDUSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds3

About N'-[(Z)-but-1-enyl]ethane-1,2-diimine

N'-[(Z)-but-1-enyl]ethane-1,2-diimine (PubChem CID 89425018) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-[(Z)-but-1-enyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN'-[(Z)-but-1-enyl]ethane-1,2-diimine
PubChem CID89425018
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-[(Z)-but-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C\CC
InChIInChI=1S/C6H10N2/c1-2-3-5-8-6-4-7/h3-7H,2H2,1H3/b5-3-,7-4+,8-6+
InChIKeyBDXWDJKWJFAZHQ-MCEUHYDUSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-1-enyl]ethane-1,2-diimine?
The IUPAC name of N'-[(Z)-but-1-enyl]ethane-1,2-diimine (CID 89425018) is N'-[(Z)-but-1-enyl]ethane-1,2-diimine.
What is the SMILES notation for N'-[(Z)-but-1-enyl]ethane-1,2-diimine?
The canonical SMILES for N'-[(Z)-but-1-enyl]ethane-1,2-diimine is [H]/N=C/C=N/C=C\CC.
What is the InChIKey of N'-[(Z)-but-1-enyl]ethane-1,2-diimine?
The InChIKey is BDXWDJKWJFAZHQ-MCEUHYDUSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-5-8-6-4-7/h3-7H,2H2,1H3/b5-3-,7-4+,8-6+.
What are the key properties of N'-[(Z)-but-1-enyl]ethane-1,2-diimine?
N'-[(Z)-but-1-enyl]ethane-1,2-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-1-enyl]ethane-1,2-diimine is sourced from PubChem (CID 89425018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).