2-[(Z)-2-(methylamino)ethenyl]iminopropanal

C6H10N2O — CID 142816233

IUPAC2-[(Z)-2-(methylamino)ethenyl]iminopropanal
SMILESCN/C=C\N=C(/C)C=O
InChIInChI=1S/C6H10N2O/c1-6(5-9)8-4-3-7-2/h3-5,7H,1-2H3/b4-3-,8-6+
InChIKeyQQAIMPDCTVSVTE-OONGGIDMSA-N
MW126.16 g/mol
LogP0.34
Rot. Bonds3

About 2-[(Z)-2-(methylamino)ethenyl]iminopropanal

2-[(Z)-2-(methylamino)ethenyl]iminopropanal (PubChem CID 142816233) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-[(Z)-2-(methylamino)ethenyl]iminopropanal.

Molecular Properties

Compound Name2-[(Z)-2-(methylamino)ethenyl]iminopropanal
PubChem CID142816233
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-[(Z)-2-(methylamino)ethenyl]iminopropanal
SMILESCN/C=C\N=C(/C)C=O
InChIInChI=1S/C6H10N2O/c1-6(5-9)8-4-3-7-2/h3-5,7H,1-2H3/b4-3-,8-6+
InChIKeyQQAIMPDCTVSVTE-OONGGIDMSA-N
XLogP0.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
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-(methylamino)ethenyl]iminopropanal?
The IUPAC name of 2-[(Z)-2-(methylamino)ethenyl]iminopropanal (CID 142816233) is 2-[(Z)-2-(methylamino)ethenyl]iminopropanal.
What is the SMILES notation for 2-[(Z)-2-(methylamino)ethenyl]iminopropanal?
The canonical SMILES for 2-[(Z)-2-(methylamino)ethenyl]iminopropanal is CN/C=C\N=C(/C)C=O.
What is the InChIKey of 2-[(Z)-2-(methylamino)ethenyl]iminopropanal?
The InChIKey is QQAIMPDCTVSVTE-OONGGIDMSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(5-9)8-4-3-7-2/h3-5,7H,1-2H3/b4-3-,8-6+.
What are the key properties of 2-[(Z)-2-(methylamino)ethenyl]iminopropanal?
2-[(Z)-2-(methylamino)ethenyl]iminopropanal has a molecular weight of 126.16 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(methylamino)ethenyl]iminopropanal is sourced from PubChem (CID 142816233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).