diethylaminomethanone

C5H10NO+ — CID 59896870

IUPACdiethylaminomethanone
SMILESCCN([C+]=O)CC
InChIInChI=1S/C5H10NO/c1-3-6(4-2)5-7/h3-4H2,1-2H3/q+1
InChIKeyCFWSJSDRLQOMIH-UHFFFAOYSA-N
MW100.14 g/mol
LogP0.40
Rot. Bonds3

About diethylaminomethanone

diethylaminomethanone (PubChem CID 59896870) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is diethylaminomethanone.

Molecular Properties

Compound Namediethylaminomethanone
PubChem CID59896870
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Namediethylaminomethanone
SMILESCCN([C+]=O)CC
InChIInChI=1S/C5H10NO/c1-3-6(4-2)5-7/h3-4H2,1-2H3/q+1
InChIKeyCFWSJSDRLQOMIH-UHFFFAOYSA-N
XLogP0.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylaminomethanone?
The IUPAC name of diethylaminomethanone (CID 59896870) is diethylaminomethanone.
What is the SMILES notation for diethylaminomethanone?
The canonical SMILES for diethylaminomethanone is CCN([C+]=O)CC.
What is the InChIKey of diethylaminomethanone?
The InChIKey is CFWSJSDRLQOMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO/c1-3-6(4-2)5-7/h3-4H2,1-2H3/q+1.
What are the key properties of diethylaminomethanone?
diethylaminomethanone has a molecular weight of 100.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethanone is sourced from PubChem (CID 59896870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).