2-[(prop-2-enylamino)methoxy]acetaldehyde

C6H11NO2 — CID 143355954

IUPAC2-[(prop-2-enylamino)methoxy]acetaldehyde
SMILESC=CCNCOCC=O
InChIInChI=1S/C6H11NO2/c1-2-3-7-6-9-5-4-8/h2,4,7H,1,3,5-6H2
InChIKeyUSRHXHYIHCHLDE-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.06
Rot. Bonds6

About 2-[(prop-2-enylamino)methoxy]acetaldehyde

2-[(prop-2-enylamino)methoxy]acetaldehyde (PubChem CID 143355954) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-[(prop-2-enylamino)methoxy]acetaldehyde.

Molecular Properties

Compound Name2-[(prop-2-enylamino)methoxy]acetaldehyde
PubChem CID143355954
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-[(prop-2-enylamino)methoxy]acetaldehyde
SMILESC=CCNCOCC=O
InChIInChI=1S/C6H11NO2/c1-2-3-7-6-9-5-4-8/h2,4,7H,1,3,5-6H2
InChIKeyUSRHXHYIHCHLDE-UHFFFAOYSA-N
XLogP-0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(prop-2-enylamino)methoxy]acetaldehyde?
The IUPAC name of 2-[(prop-2-enylamino)methoxy]acetaldehyde (CID 143355954) is 2-[(prop-2-enylamino)methoxy]acetaldehyde.
What is the SMILES notation for 2-[(prop-2-enylamino)methoxy]acetaldehyde?
The canonical SMILES for 2-[(prop-2-enylamino)methoxy]acetaldehyde is C=CCNCOCC=O.
What is the InChIKey of 2-[(prop-2-enylamino)methoxy]acetaldehyde?
The InChIKey is USRHXHYIHCHLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-7-6-9-5-4-8/h2,4,7H,1,3,5-6H2.
What are the key properties of 2-[(prop-2-enylamino)methoxy]acetaldehyde?
2-[(prop-2-enylamino)methoxy]acetaldehyde has a molecular weight of 129.16 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(prop-2-enylamino)methoxy]acetaldehyde is sourced from PubChem (CID 143355954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).