(E)-3-(ethylamino)but-2-enal

C6H11NO — CID 58915947

IUPAC(E)-3-(ethylamino)but-2-enal
SMILESCCN/C(C)=C/C=O
InChIInChI=1S/C6H11NO/c1-3-7-6(2)4-5-8/h4-5,7H,3H2,1-2H3/b6-4+
InChIKeyOUMMIBMXQRUJOR-GQCTYLIASA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds3

About (E)-3-(ethylamino)but-2-enal

(E)-3-(ethylamino)but-2-enal (PubChem CID 58915947) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-3-(ethylamino)but-2-enal.

Molecular Properties

Compound Name(E)-3-(ethylamino)but-2-enal
PubChem CID58915947
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-3-(ethylamino)but-2-enal
SMILESCCN/C(C)=C/C=O
InChIInChI=1S/C6H11NO/c1-3-7-6(2)4-5-8/h4-5,7H,3H2,1-2H3/b6-4+
InChIKeyOUMMIBMXQRUJOR-GQCTYLIASA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
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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Related Compounds

5-Methyl-4-azahept-5-en-7-one
CID 134693631
(Z)-3-(prop-1-en-2-ylamino)but-2-enal
CID 134922197
(E)-2-(propan-2-ylamino)but-2-enedial
CID 88408651
(Z)-2-amino-3-(ethenylamino)but-2-enal
CID 88933548
(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal
CID 89043945
(2Z,4Z)-5-(methylamino)hexa-2,4-dienal
CID 134517048
2-(Ethylamino)prop-2-enal
CID 142268178
(Z)-2-(ethenylamino)but-2-enal
CID 143479847
(2E,4Z)-3,5-bis(methylamino)penta-2,4-dienal
CID 144678659
(Z)-3-(methylamino)but-2-enal
CID 144906132
methanamine;(Z)-3-(methylamino)but-2-enal
CID 144906265
ethane;(Z)-2-(ethylamino)but-2-enal
CID 145380426

Frequently Asked Questions

What is the IUPAC name of (E)-3-(ethylamino)but-2-enal?
The IUPAC name of (E)-3-(ethylamino)but-2-enal (CID 58915947) is (E)-3-(ethylamino)but-2-enal.
What is the SMILES notation for (E)-3-(ethylamino)but-2-enal?
The canonical SMILES for (E)-3-(ethylamino)but-2-enal is CCN/C(C)=C/C=O.
What is the InChIKey of (E)-3-(ethylamino)but-2-enal?
The InChIKey is OUMMIBMXQRUJOR-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11NO/c1-3-7-6(2)4-5-8/h4-5,7H,3H2,1-2H3/b6-4+.
What are the key properties of (E)-3-(ethylamino)but-2-enal?
(E)-3-(ethylamino)but-2-enal has a molecular weight of 113.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(ethylamino)but-2-enal is sourced from PubChem (CID 58915947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).