2-[[(E)-but-2-enyl]amino]acetaldehyde

C6H11NO — CID 173274411

IUPAC2-[[(E)-but-2-enyl]amino]acetaldehyde
SMILESC/C=C/CNCC=O
InChIInChI=1S/C6H11NO/c1-2-3-4-7-5-6-8/h2-3,6-7H,4-5H2,1H3/b3-2+
InChIKeyHJVXCJYDRHCHSQ-NSCUHMNNSA-N
MW113.16 g/mol
LogP0.35
Rot. Bonds4

About 2-[[(E)-but-2-enyl]amino]acetaldehyde

2-[[(E)-but-2-enyl]amino]acetaldehyde (PubChem CID 173274411) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]amino]acetaldehyde
PubChem CID173274411
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-[[(E)-but-2-enyl]amino]acetaldehyde
SMILESC/C=C/CNCC=O
InChIInChI=1S/C6H11NO/c1-2-3-4-7-5-6-8/h2-3,6-7H,4-5H2,1H3/b3-2+
InChIKeyHJVXCJYDRHCHSQ-NSCUHMNNSA-N
XLogP0.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylbut-2-en-1-amine;sulfuric acid
CID 175332319
N-ethylbut-2-en-1-amine;hydrochloride
CID 155653042
(Z)-N-ethylbut-2-en-1-amine;2-methylpropane
CID 171800093
(E)-N-(2-bromoethyl)but-2-en-1-amine
CID 107897799
ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
2-(prop-1-enylamino)acetaldehyde
CID 173097369
2-[(2-oxoethylamino)methylamino]acetaldehyde
CID 54207302
(Z)-N-(2-ethoxyethyl)but-2-en-1-amine
CID 143071709
3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 107899064
(E)-N-[2-(methyldisulfanyl)ethyl]but-2-en-1-amine
CID 131239154
(2S)-3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 131247473
N-(3-methoxypropyl)but-2-en-1-amine
CID 141114673

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enyl]amino]acetaldehyde?
The IUPAC name of 2-[[(E)-but-2-enyl]amino]acetaldehyde (CID 173274411) is 2-[[(E)-but-2-enyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[(E)-but-2-enyl]amino]acetaldehyde?
The canonical SMILES for 2-[[(E)-but-2-enyl]amino]acetaldehyde is C/C=C/CNCC=O.
What is the InChIKey of 2-[[(E)-but-2-enyl]amino]acetaldehyde?
The InChIKey is HJVXCJYDRHCHSQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-4-7-5-6-8/h2-3,6-7H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]amino]acetaldehyde?
2-[[(E)-but-2-enyl]amino]acetaldehyde has a molecular weight of 113.16 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]amino]acetaldehyde is sourced from PubChem (CID 173274411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).