ethane;(Z)-2-(ethylamino)but-2-enal

C8H17NO — CID 145380426

IUPACethane;(Z)-2-(ethylamino)but-2-enal
SMILESC/C=C(/C=O)NCC.CC
InChIInChI=1S/C6H11NO.C2H6/c1-3-6(5-8)7-4-2;1-2/h3,5,7H,4H2,1-2H3;1-2H3/b6-3-;
InChIKeyYZKAIXQACDDHCS-AQPBACSKSA-N
MW143.23 g/mol
LogP1.72
Rot. Bonds3

About ethane;(Z)-2-(ethylamino)but-2-enal

ethane;(Z)-2-(ethylamino)but-2-enal (PubChem CID 145380426) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;(Z)-2-(ethylamino)but-2-enal.

Molecular Properties

Compound Nameethane;(Z)-2-(ethylamino)but-2-enal
PubChem CID145380426
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;(Z)-2-(ethylamino)but-2-enal
SMILESC/C=C(/C=O)NCC.CC
InChIInChI=1S/C6H11NO.C2H6/c1-3-6(5-8)7-4-2;1-2/h3,5,7H,4H2,1-2H3;1-2H3/b6-3-;
InChIKeyYZKAIXQACDDHCS-AQPBACSKSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.72
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

2-Diethylamino-2-butenal
CID 73308882
N-isopropyl acrolamide
CID 129863793
5-Methyl-4-azahept-5-en-7-one
CID 134693631
(E)-2-(diethylamino)but-2-enal
CID 12773254
2-(Prop-1-en-2-ylamino)acetaldehyde
CID 58781787
(E)-3-(ethylamino)but-2-enal
CID 58915947
(E)-2-(propan-2-ylamino)but-2-enedial
CID 88408651
(Z)-2-(ethylamino)oct-2-enal
CID 89127720
2-[[(Z)-prop-1-enyl]amino]prop-2-enal
CID 89234944
2-[Ethyl(propyl)amino]but-2-enal
CID 123556118
1,2-Dihydropyridine-6-carbaldehyde;ethane;methane
CID 141884927
2-(Ethylamino)prop-2-enal
CID 142268178

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(ethylamino)but-2-enal?
The IUPAC name of ethane;(Z)-2-(ethylamino)but-2-enal (CID 145380426) is ethane;(Z)-2-(ethylamino)but-2-enal.
What is the SMILES notation for ethane;(Z)-2-(ethylamino)but-2-enal?
The canonical SMILES for ethane;(Z)-2-(ethylamino)but-2-enal is C/C=C(/C=O)NCC.CC.
What is the InChIKey of ethane;(Z)-2-(ethylamino)but-2-enal?
The InChIKey is YZKAIXQACDDHCS-AQPBACSKSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-3-6(5-8)7-4-2;1-2/h3,5,7H,4H2,1-2H3;1-2H3/b6-3-;.
What are the key properties of ethane;(Z)-2-(ethylamino)but-2-enal?
ethane;(Z)-2-(ethylamino)but-2-enal has a molecular weight of 143.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(ethylamino)but-2-enal is sourced from PubChem (CID 145380426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).