2-(prop-1-enylamino)acetaldehyde

C5H9NO — CID 173097369

IUPAC2-(prop-1-enylamino)acetaldehyde
SMILESCC=CNCC=O
InChIInChI=1S/C5H9NO/c1-2-3-6-4-5-7/h2-3,5-6H,4H2,1H3
InChIKeyYBMZIKSPSYUUKT-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.31
Rot. Bonds3

About 2-(prop-1-enylamino)acetaldehyde

2-(prop-1-enylamino)acetaldehyde (PubChem CID 173097369) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-(prop-1-enylamino)acetaldehyde.

Molecular Properties

Compound Name2-(prop-1-enylamino)acetaldehyde
PubChem CID173097369
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-(prop-1-enylamino)acetaldehyde
SMILESCC=CNCC=O
InChIInChI=1S/C5H9NO/c1-2-3-6-4-5-7/h2-3,5-6H,4H2,1H3
InChIKeyYBMZIKSPSYUUKT-UHFFFAOYSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.31
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'}

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Related Compounds

3-[[(Z)-prop-1-enyl]amino]propanal
CID 143480247
3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
CID 142828314
2-[[(E)-but-2-enyl]amino]acetaldehyde
CID 173274411
N-ethylprop-1-en-1-amine;hydrochloride
CID 155653050
ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine
CID 143466587
N-(2-chloroethyl)prop-1-en-1-amine
CID 176897576
N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
CID 121451302
(E)-4-oxo-4-[2-[2-[2-[[(E)-prop-1-enyl]amino]ethylamino]ethylamino]ethylamino]but-2-enoic acid
CID 101277476
(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine
CID 142550105
(E)-4-oxo-4-[2-[[(E)-prop-1-enyl]amino]ethylamino]but-2-enoic acid
CID 101277231
2-[(2-oxoethylamino)methylamino]acetaldehyde
CID 54207302
N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261

Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-enylamino)acetaldehyde?
The IUPAC name of 2-(prop-1-enylamino)acetaldehyde (CID 173097369) is 2-(prop-1-enylamino)acetaldehyde.
What is the SMILES notation for 2-(prop-1-enylamino)acetaldehyde?
The canonical SMILES for 2-(prop-1-enylamino)acetaldehyde is CC=CNCC=O.
What is the InChIKey of 2-(prop-1-enylamino)acetaldehyde?
The InChIKey is YBMZIKSPSYUUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-3-6-4-5-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(prop-1-enylamino)acetaldehyde?
2-(prop-1-enylamino)acetaldehyde has a molecular weight of 99.13 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-enylamino)acetaldehyde is sourced from PubChem (CID 173097369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).