2-[ethenyl(methyl)amino]prop-2-enal

C6H9NO — CID 142840242

IUPAC2-[ethenyl(methyl)amino]prop-2-enal
SMILESC=CN(C)C(=C)C=O
InChIInChI=1S/C6H9NO/c1-4-7(3)6(2)5-8/h4-5H,1-2H2,3H3
InChIKeyNZBHRMYPQIRAKN-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.77
Rot. Bonds3

About 2-[ethenyl(methyl)amino]prop-2-enal

2-[ethenyl(methyl)amino]prop-2-enal (PubChem CID 142840242) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-[ethenyl(methyl)amino]prop-2-enal.

Molecular Properties

Compound Name2-[ethenyl(methyl)amino]prop-2-enal
PubChem CID142840242
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-[ethenyl(methyl)amino]prop-2-enal
SMILESC=CN(C)C(=C)C=O
InChIInChI=1S/C6H9NO/c1-4-7(3)6(2)5-8/h4-5H,1-2H2,3H3
InChIKeyNZBHRMYPQIRAKN-UHFFFAOYSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl(methyl)amino]prop-2-enal?
The IUPAC name of 2-[ethenyl(methyl)amino]prop-2-enal (CID 142840242) is 2-[ethenyl(methyl)amino]prop-2-enal.
What is the SMILES notation for 2-[ethenyl(methyl)amino]prop-2-enal?
The canonical SMILES for 2-[ethenyl(methyl)amino]prop-2-enal is C=CN(C)C(=C)C=O.
What is the InChIKey of 2-[ethenyl(methyl)amino]prop-2-enal?
The InChIKey is NZBHRMYPQIRAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-7(3)6(2)5-8/h4-5H,1-2H2,3H3.
What are the key properties of 2-[ethenyl(methyl)amino]prop-2-enal?
2-[ethenyl(methyl)amino]prop-2-enal has a molecular weight of 111.14 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl(methyl)amino]prop-2-enal is sourced from PubChem (CID 142840242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).