(Z)-2-(ethenylamino)but-2-enal

C6H9NO — CID 143479847

IUPAC(Z)-2-(ethenylamino)but-2-enal
SMILESC=CN/C(C=O)=C\C
InChIInChI=1S/C6H9NO/c1-3-6(5-8)7-4-2/h3-5,7H,2H2,1H3/b6-3-
InChIKeyATSQQGRTHACNOJ-UTCJRWHESA-N
MW111.14 g/mol
LogP0.82
Rot. Bonds3

About (Z)-2-(ethenylamino)but-2-enal

(Z)-2-(ethenylamino)but-2-enal (PubChem CID 143479847) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (Z)-2-(ethenylamino)but-2-enal.

Molecular Properties

Compound Name(Z)-2-(ethenylamino)but-2-enal
PubChem CID143479847
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(Z)-2-(ethenylamino)but-2-enal
SMILESC=CN/C(C=O)=C\C
InChIInChI=1S/C6H9NO/c1-3-6(5-8)7-4-2/h3-5,7H,2H2,1H3/b6-3-
InChIKeyATSQQGRTHACNOJ-UTCJRWHESA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.82
H-Bond Donors ≤ 51
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 (Z)-2-(ethenylamino)but-2-enal?
The IUPAC name of (Z)-2-(ethenylamino)but-2-enal (CID 143479847) is (Z)-2-(ethenylamino)but-2-enal.
What is the SMILES notation for (Z)-2-(ethenylamino)but-2-enal?
The canonical SMILES for (Z)-2-(ethenylamino)but-2-enal is C=CN/C(C=O)=C\C.
What is the InChIKey of (Z)-2-(ethenylamino)but-2-enal?
The InChIKey is ATSQQGRTHACNOJ-UTCJRWHESA-N. The full InChI is InChI=1S/C6H9NO/c1-3-6(5-8)7-4-2/h3-5,7H,2H2,1H3/b6-3-.
What are the key properties of (Z)-2-(ethenylamino)but-2-enal?
(Z)-2-(ethenylamino)but-2-enal has a molecular weight of 111.14 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(ethenylamino)but-2-enal is sourced from PubChem (CID 143479847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).