N-(3-formylphenyl)-N-methylacetamide

C10H11NO2 — CID 12915117

IUPACN-(3-formylphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(C=O)c1
InChIInChI=1S/C10H11NO2/c1-8(13)11(2)10-5-3-4-9(6-10)7-12/h3-7H,1-2H3
InChIKeyMMLOQMYZHQKVLU-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.48
Rot. Bonds2

About N-(3-formylphenyl)-N-methylacetamide

N-(3-formylphenyl)-N-methylacetamide (PubChem CID 12915117) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(3-formylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-N-methylacetamide
PubChem CID12915117
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-(3-formylphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(C=O)c1
InChIInChI=1S/C10H11NO2/c1-8(13)11(2)10-5-3-4-9(6-10)7-12/h3-7H,1-2H3
InChIKeyMMLOQMYZHQKVLU-UHFFFAOYSA-N
XLogP1.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-N-methylacetamide?
The IUPAC name of N-(3-formylphenyl)-N-methylacetamide (CID 12915117) is N-(3-formylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-formylphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-formylphenyl)-N-methylacetamide is CC(=O)N(C)c1cccc(C=O)c1.
What is the InChIKey of N-(3-formylphenyl)-N-methylacetamide?
The InChIKey is MMLOQMYZHQKVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8(13)11(2)10-5-3-4-9(6-10)7-12/h3-7H,1-2H3.
What are the key properties of N-(3-formylphenyl)-N-methylacetamide?
N-(3-formylphenyl)-N-methylacetamide has a molecular weight of 177.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-N-methylacetamide is sourced from PubChem (CID 12915117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).