ethyl-formyl-dimethylazanium

C5H12NO+ — CID 59557440

IUPACethyl-formyl-dimethylazanium
SMILESCC[N+](C)(C)C=O
InChIInChI=1S/C5H12NO/c1-4-6(2,3)5-7/h5H,4H2,1-3H3/q+1
InChIKeyAYVCDNCFILCTSV-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.24
Rot. Bonds2

About ethyl-formyl-dimethylazanium

ethyl-formyl-dimethylazanium (PubChem CID 59557440) has the molecular formula C5H12NO+ and a molecular weight of 102.16 g/mol. Its IUPAC name is ethyl-formyl-dimethylazanium.

Molecular Properties

Compound Nameethyl-formyl-dimethylazanium
PubChem CID59557440
Molecular FormulaC5H12NO+
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Nameethyl-formyl-dimethylazanium
SMILESCC[N+](C)(C)C=O
InChIInChI=1S/C5H12NO/c1-4-6(2,3)5-7/h5H,4H2,1-3H3/q+1
InChIKeyAYVCDNCFILCTSV-UHFFFAOYSA-N
XLogP0.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-formyl-dimethylazanium?
The IUPAC name of ethyl-formyl-dimethylazanium (CID 59557440) is ethyl-formyl-dimethylazanium.
What is the SMILES notation for ethyl-formyl-dimethylazanium?
The canonical SMILES for ethyl-formyl-dimethylazanium is CC[N+](C)(C)C=O.
What is the InChIKey of ethyl-formyl-dimethylazanium?
The InChIKey is AYVCDNCFILCTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO/c1-4-6(2,3)5-7/h5H,4H2,1-3H3/q+1.
What are the key properties of ethyl-formyl-dimethylazanium?
ethyl-formyl-dimethylazanium has a molecular weight of 102.16 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-formyl-dimethylazanium is sourced from PubChem (CID 59557440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).