3-[2-(dimethylamino)acetyl]benzaldehyde

C11H13NO2 — CID 55272304

IUPAC3-[2-(dimethylamino)acetyl]benzaldehyde
SMILESCN(C)CC(=O)c1cccc(C=O)c1
InChIInChI=1S/C11H13NO2/c1-12(2)7-11(14)10-5-3-4-9(6-10)8-13/h3-6,8H,7H2,1-2H3
InChIKeyNOUZSIBGMBRSHV-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.24
Rot. Bonds4

About 3-[2-(dimethylamino)acetyl]benzaldehyde

3-[2-(dimethylamino)acetyl]benzaldehyde (PubChem CID 55272304) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[2-(dimethylamino)acetyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-(dimethylamino)acetyl]benzaldehyde
PubChem CID55272304
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-[2-(dimethylamino)acetyl]benzaldehyde
SMILESCN(C)CC(=O)c1cccc(C=O)c1
InChIInChI=1S/C11H13NO2/c1-12(2)7-11(14)10-5-3-4-9(6-10)8-13/h3-6,8H,7H2,1-2H3
InChIKeyNOUZSIBGMBRSHV-UHFFFAOYSA-N
XLogP1.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
2-(dimethylamino)-1-(3-isocyanatophenyl)ethanone
CID 170895992
3-formylbenzoic acid;methanol
CID 142242456
2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
CID 170896073
2-(dimethylamino)-1-(3-nitrophenyl)ethanone
CID 43219662
3-formylbenzoyl iodide
CID 88830571
2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone
CID 73213854
3-[1-(3-formylphenyl)ethenyl]benzaldehyde
CID 86226785
5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde
CID 55271946
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
methyl 2-[3-(3-formylphenyl)-3-oxopropyl]benzoate
CID 86629696
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)acetyl]benzaldehyde?
The IUPAC name of 3-[2-(dimethylamino)acetyl]benzaldehyde (CID 55272304) is 3-[2-(dimethylamino)acetyl]benzaldehyde.
What is the SMILES notation for 3-[2-(dimethylamino)acetyl]benzaldehyde?
The canonical SMILES for 3-[2-(dimethylamino)acetyl]benzaldehyde is CN(C)CC(=O)c1cccc(C=O)c1.
What is the InChIKey of 3-[2-(dimethylamino)acetyl]benzaldehyde?
The InChIKey is NOUZSIBGMBRSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(2)7-11(14)10-5-3-4-9(6-10)8-13/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)acetyl]benzaldehyde?
3-[2-(dimethylamino)acetyl]benzaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)acetyl]benzaldehyde is sourced from PubChem (CID 55272304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).