4-aminooxybenzaldehyde;propanamide

C10H14N2O3 — CID 175549934

IUPAC4-aminooxybenzaldehyde;propanamide
SMILESCCC(N)=O.NOc1ccc(C=O)cc1
InChIInChI=1S/C7H7NO2.C3H7NO/c8-10-7-3-1-6(5-9)2-4-7;1-2-3(4)5/h1-5H,8H2;2H2,1H3,(H2,4,5)
InChIKeyRODNWGGCDIAPIK-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.63
Rot. Bonds3

About 4-aminooxybenzaldehyde;propanamide

4-aminooxybenzaldehyde;propanamide (PubChem CID 175549934) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-aminooxybenzaldehyde;propanamide.

Molecular Properties

Compound Name4-aminooxybenzaldehyde;propanamide
PubChem CID175549934
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-aminooxybenzaldehyde;propanamide
SMILESCCC(N)=O.NOc1ccc(C=O)cc1
InChIInChI=1S/C7H7NO2.C3H7NO/c8-10-7-3-1-6(5-9)2-4-7;1-2-3(4)5/h1-5H,8H2;2H2,1H3,(H2,4,5)
InChIKeyRODNWGGCDIAPIK-UHFFFAOYSA-N
XLogP0.63
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propyl 2-(4-formylphenoxy)acetate
CID 17245126
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CID 77101910
ethyl 4-(4-formylphenoxy)-3-oxobutanoate
CID 60643731
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
(4-formylphenyl) hexanoate
CID 3084911
(4-formylphenyl) 2-bromo-2-methylbutanoate
CID 143162824
4-formylbenzamide;methanamine
CID 144619239
4-methylbenzaldehyde;methyl propanoate
CID 175066675
(4-formylphenyl) ethaneperoxoate
CID 23111518
3-(4-formylphenyl)propanamide
CID 66485595
4-[(E)-3-oxopent-1-enyl]benzaldehyde
CID 127259618

Frequently Asked Questions

What is the IUPAC name of 4-aminooxybenzaldehyde;propanamide?
The IUPAC name of 4-aminooxybenzaldehyde;propanamide (CID 175549934) is 4-aminooxybenzaldehyde;propanamide.
What is the SMILES notation for 4-aminooxybenzaldehyde;propanamide?
The canonical SMILES for 4-aminooxybenzaldehyde;propanamide is CCC(N)=O.NOc1ccc(C=O)cc1.
What is the InChIKey of 4-aminooxybenzaldehyde;propanamide?
The InChIKey is RODNWGGCDIAPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C3H7NO/c8-10-7-3-1-6(5-9)2-4-7;1-2-3(4)5/h1-5H,8H2;2H2,1H3,(H2,4,5).
What are the key properties of 4-aminooxybenzaldehyde;propanamide?
4-aminooxybenzaldehyde;propanamide has a molecular weight of 210.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxybenzaldehyde;propanamide is sourced from PubChem (CID 175549934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).