2-(aminooxymethyl)-5-methoxybenzaldehyde

C9H11NO3 — CID 117278594

IUPAC2-(aminooxymethyl)-5-methoxybenzaldehyde
SMILESCOc1ccc(CON)c(C=O)c1
InChIInChI=1S/C9H11NO3/c1-12-9-3-2-7(6-13-10)8(4-9)5-11/h2-5H,6,10H2,1H3
InChIKeyIQQAQUOUCBQQDR-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.90
Rot. Bonds4

About 2-(aminooxymethyl)-5-methoxybenzaldehyde

2-(aminooxymethyl)-5-methoxybenzaldehyde (PubChem CID 117278594) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(aminooxymethyl)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(aminooxymethyl)-5-methoxybenzaldehyde
PubChem CID117278594
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(aminooxymethyl)-5-methoxybenzaldehyde
SMILESCOc1ccc(CON)c(C=O)c1
InChIInChI=1S/C9H11NO3/c1-12-9-3-2-7(6-13-10)8(4-9)5-11/h2-5H,6,10H2,1H3
InChIKeyIQQAQUOUCBQQDR-UHFFFAOYSA-N
XLogP0.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
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

2-butyl-5-methoxybenzaldehyde
CID 10631601
2-(2-formyl-4-methoxyphenyl)acetonitrile
CID 55265214
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
2-(2-aminooxyethyl)-4-methoxybenzaldehyde
CID 117285082
methyl 3-(2-formyl-4-methoxyphenyl)propanoate
CID 87139942
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 14713110
5-methoxy-2-(piperazin-1-ylmethyl)benzaldehyde
CID 117340822
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
5-methoxy-3-(methoxymethyl)phthalaldehyde
CID 86118704
2-formyl-4-methoxybenzenesulfonamide
CID 102084002

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-5-methoxybenzaldehyde?
The IUPAC name of 2-(aminooxymethyl)-5-methoxybenzaldehyde (CID 117278594) is 2-(aminooxymethyl)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(aminooxymethyl)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(aminooxymethyl)-5-methoxybenzaldehyde is COc1ccc(CON)c(C=O)c1.
What is the InChIKey of 2-(aminooxymethyl)-5-methoxybenzaldehyde?
The InChIKey is IQQAQUOUCBQQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-9-3-2-7(6-13-10)8(4-9)5-11/h2-5H,6,10H2,1H3.
What are the key properties of 2-(aminooxymethyl)-5-methoxybenzaldehyde?
2-(aminooxymethyl)-5-methoxybenzaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-5-methoxybenzaldehyde is sourced from PubChem (CID 117278594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).