2-formyl-N,N-dimethylbenzamide

C10H11NO2 — CID 15445463

IUPAC2-formyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C10H11NO2/c1-11(2)10(13)9-6-4-3-5-8(9)7-12/h3-7H,1-2H3
InChIKeyGIKRXIQFLGENKA-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.20
Rot. Bonds2

About 2-formyl-N,N-dimethylbenzamide

2-formyl-N,N-dimethylbenzamide (PubChem CID 15445463) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-formyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-formyl-N,N-dimethylbenzamide
PubChem CID15445463
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-formyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C10H11NO2/c1-11(2)10(13)9-6-4-3-5-8(9)7-12/h3-7H,1-2H3
InChIKeyGIKRXIQFLGENKA-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
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 2-formyl-N,N-dimethylbenzamide?
The IUPAC name of 2-formyl-N,N-dimethylbenzamide (CID 15445463) is 2-formyl-N,N-dimethylbenzamide.
What is the SMILES notation for 2-formyl-N,N-dimethylbenzamide?
The canonical SMILES for 2-formyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1C=O.
What is the InChIKey of 2-formyl-N,N-dimethylbenzamide?
The InChIKey is GIKRXIQFLGENKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11(2)10(13)9-6-4-3-5-8(9)7-12/h3-7H,1-2H3.
What are the key properties of 2-formyl-N,N-dimethylbenzamide?
2-formyl-N,N-dimethylbenzamide has a molecular weight of 177.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N,N-dimethylbenzamide is sourced from PubChem (CID 15445463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).