ethyl(formyl)azanium

C3H8NO+ — CID 173329739

IUPACethyl(formyl)azanium
SMILESCC[NH2+]C=O
InChIInChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)/p+1
InChIKeyKERBAAIBDHEFDD-UHFFFAOYSA-O
MW74.10 g/mol
LogP-1.27
Rot. Bonds2

About ethyl(formyl)azanium

ethyl(formyl)azanium (PubChem CID 173329739) has the molecular formula C3H8NO+ and a molecular weight of 74.10 g/mol. Its IUPAC name is ethyl(formyl)azanium.

Molecular Properties

Compound Nameethyl(formyl)azanium
PubChem CID173329739
Molecular FormulaC3H8NO+
Molecular Weight74.10 g/mol
Exact Mass74.06
IUPAC Nameethyl(formyl)azanium
SMILESCC[NH2+]C=O
InChIInChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)/p+1
InChIKeyKERBAAIBDHEFDD-UHFFFAOYSA-O
XLogP-1.27
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.10
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanol;oxaldehyde
CID 87382899
acetaldehyde;ethanol;methanol
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ethanol;oxotitanium
CID 86198099
acetaldehyde;ethanol;vanadium;hydroiodide
CID 159475304
formic acid;propan-1-ol
CID 87192907
methane;propanal
CID 159115270
formyl chloride;propane
CID 160862767
propanal;trihydrochloride
CID 140558923
ethanol;oxotitanium;dihydrochloride
CID 88684132
propanal;propane
CID 91031727
formamide;propane
CID 157485798
butane;oxaldehyde
CID 87585246

Frequently Asked Questions

What is the IUPAC name of ethyl(formyl)azanium?
The IUPAC name of ethyl(formyl)azanium (CID 173329739) is ethyl(formyl)azanium.
What is the SMILES notation for ethyl(formyl)azanium?
The canonical SMILES for ethyl(formyl)azanium is CC[NH2+]C=O.
What is the InChIKey of ethyl(formyl)azanium?
The InChIKey is KERBAAIBDHEFDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)/p+1.
What are the key properties of ethyl(formyl)azanium?
ethyl(formyl)azanium has a molecular weight of 74.10 g/mol, XLogP of -1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(formyl)azanium is sourced from PubChem (CID 173329739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).