2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde

C6H10N2O — CID 143328356

IUPAC2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde
SMILESCN(C)/C=C\N=C\C=O
InChIInChI=1S/C6H10N2O/c1-8(2)5-3-7-4-6-9/h3-6H,1-2H3/b5-3-,7-4+
InChIKeyLLKSCPIHICAERY-XKSOLRDRSA-N
MW126.16 g/mol
LogP0.29
Rot. Bonds3

About 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde

2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde (PubChem CID 143328356) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde.

Molecular Properties

Compound Name2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde
PubChem CID143328356
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde
SMILESCN(C)/C=C\N=C\C=O
InChIInChI=1S/C6H10N2O/c1-8(2)5-3-7-4-6-9/h3-6H,1-2H3/b5-3-,7-4+
InChIKeyLLKSCPIHICAERY-XKSOLRDRSA-N
XLogP0.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde?
The IUPAC name of 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde (CID 143328356) is 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde.
What is the SMILES notation for 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde?
The canonical SMILES for 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde is CN(C)/C=C\N=C\C=O.
What is the InChIKey of 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde?
The InChIKey is LLKSCPIHICAERY-XKSOLRDRSA-N. The full InChI is InChI=1S/C6H10N2O/c1-8(2)5-3-7-4-6-9/h3-6H,1-2H3/b5-3-,7-4+.
What are the key properties of 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde?
2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde has a molecular weight of 126.16 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(dimethylamino)ethenyl]iminoacetaldehyde is sourced from PubChem (CID 143328356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).