methanamine;3-(2-oxoethoxy)benzaldehyde

C10H13NO3 — CID 169139038

IUPACmethanamine;3-(2-oxoethoxy)benzaldehyde
SMILESCN.O=CCOc1cccc(C=O)c1
InChIInChI=1S/C9H8O3.CH5N/c10-4-5-12-9-3-1-2-8(6-9)7-11;1-2/h1-4,6-7H,5H2;2H2,1H3
InChIKeyOAWJCNNZLJMWTK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.65
Rot. Bonds4

About methanamine;3-(2-oxoethoxy)benzaldehyde

methanamine;3-(2-oxoethoxy)benzaldehyde (PubChem CID 169139038) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methanamine;3-(2-oxoethoxy)benzaldehyde.

Molecular Properties

Compound Namemethanamine;3-(2-oxoethoxy)benzaldehyde
PubChem CID169139038
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethanamine;3-(2-oxoethoxy)benzaldehyde
SMILESCN.O=CCOc1cccc(C=O)c1
InChIInChI=1S/C9H8O3.CH5N/c10-4-5-12-9-3-1-2-8(6-9)7-11;1-2/h1-4,6-7H,5H2;2H2,1H3
InChIKeyOAWJCNNZLJMWTK-UHFFFAOYSA-N
XLogP0.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-[(E)-4-bromobut-2-enoxy]benzaldehyde
CID 91871997
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-butoxybenzaldehyde;ethane
CID 91380350
2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
3-(2-methylsulfanyloxyethoxy)benzaldehyde
CID 143732279
2-(3-iodophenoxy)acetaldehyde
CID 54101837
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
2-[3-(aminooxymethyl)phenoxy]acetaldehyde
CID 130193211

Frequently Asked Questions

What is the IUPAC name of methanamine;3-(2-oxoethoxy)benzaldehyde?
The IUPAC name of methanamine;3-(2-oxoethoxy)benzaldehyde (CID 169139038) is methanamine;3-(2-oxoethoxy)benzaldehyde.
What is the SMILES notation for methanamine;3-(2-oxoethoxy)benzaldehyde?
The canonical SMILES for methanamine;3-(2-oxoethoxy)benzaldehyde is CN.O=CCOc1cccc(C=O)c1.
What is the InChIKey of methanamine;3-(2-oxoethoxy)benzaldehyde?
The InChIKey is OAWJCNNZLJMWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.CH5N/c10-4-5-12-9-3-1-2-8(6-9)7-11;1-2/h1-4,6-7H,5H2;2H2,1H3.
What are the key properties of methanamine;3-(2-oxoethoxy)benzaldehyde?
methanamine;3-(2-oxoethoxy)benzaldehyde has a molecular weight of 195.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-(2-oxoethoxy)benzaldehyde is sourced from PubChem (CID 169139038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).