but-2-enal;hydron

C4H7O+ — CID 174715160

IUPACbut-2-enal;hydron
SMILESCC=CC=O.[H+]
InChIInChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/p+1
InChIKeyMLUCVPSAIODCQM-UHFFFAOYSA-O
MW71.10 g/mol
LogP0.87
Rot. Bonds1

About but-2-enal;hydron

but-2-enal;hydron (PubChem CID 174715160) has the molecular formula C4H7O+ and a molecular weight of 71.10 g/mol. Its IUPAC name is but-2-enal;hydron.

Molecular Properties

Compound Namebut-2-enal;hydron
PubChem CID174715160
Molecular FormulaC4H7O+
Molecular Weight71.10 g/mol
Exact Mass71.05
IUPAC Namebut-2-enal;hydron
SMILESCC=CC=O.[H+]
InChIInChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/p+1
InChIKeyMLUCVPSAIODCQM-UHFFFAOYSA-O
XLogP0.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.10
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze but-2-enal;hydron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-2-enal;chromium
CID 174881364
acetic acid;(E)-but-2-enal
CID 174970374
but-2-enal;2-methylprop-2-enal
CID 173455784
but-2-enal;pyridine
CID 174947600
(E)-but-2-enal;methyl prop-2-enoate
CID 175331415
but-2-enedial;copper
CID 174314977
(4E)-hexa-2,4-diene
CID 22435466
(E)-but-2-enal;(E)-1,1-diethoxybut-2-ene
CID 86760888
5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal
CID 155487828
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
CID 102293194
4,4-dimethylhepta-2,5-dienal
CID 141396668

Frequently Asked Questions

What is the IUPAC name of but-2-enal;hydron?
The IUPAC name of but-2-enal;hydron (CID 174715160) is but-2-enal;hydron.
What is the SMILES notation for but-2-enal;hydron?
The canonical SMILES for but-2-enal;hydron is CC=CC=O.[H+].
What is the InChIKey of but-2-enal;hydron?
The InChIKey is MLUCVPSAIODCQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/p+1.
What are the key properties of but-2-enal;hydron?
but-2-enal;hydron has a molecular weight of 71.10 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enal;hydron is sourced from PubChem (CID 174715160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).