but-2-enoic acid;formic acid

C5H8O4 — CID 53399155

IUPACbut-2-enoic acid;formic acid
SMILESCC=CC(=O)O.O=CO
InChIInChI=1S/C4H6O2.CH2O2/c1-2-3-4(5)6;2-1-3/h2-3H,1H3,(H,5,6);1H,(H,2,3)
InChIKeyQLVHOWOIOBVGPO-UHFFFAOYSA-N
MW132.11 g/mol
LogP0.35
Rot. Bonds1

About but-2-enoic acid;formic acid

but-2-enoic acid;formic acid (PubChem CID 53399155) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is but-2-enoic acid;formic acid.

Molecular Properties

Compound Namebut-2-enoic acid;formic acid
PubChem CID53399155
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Namebut-2-enoic acid;formic acid
SMILESCC=CC(=O)O.O=CO
InChIInChI=1S/C4H6O2.CH2O2/c1-2-3-4(5)6;2-1-3/h2-3H,1H3,(H,5,6);1H,(H,2,3)
InChIKeyQLVHOWOIOBVGPO-UHFFFAOYSA-N
XLogP0.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enoic acid
CID 637090
(Z)-but-2-ene;(Z)-but-2-enoic acid
CID 158994925
(Z)-but-2-enoic acid;yttrium
CID 58782397
barium(2+);but-2-enoic acid;hydride
CID 173455030
but-2-enoic acid;phosphane;hydrate
CID 161337391
acetic acid;but-2-enedioic acid;formic acid
CID 160941999
(E)-but-2-enedioic acid;formic acid
CID 87892293
but-2-enoic acid;N-methylmethanamine;hydrochloride
CID 173091669
acetic acid;formic acid;hydrogen peroxide
CID 172718921
4-oxohepta-2,5-dienoic acid
CID 54093333
(Z)-but-2-enoic acid;2-methylprop-2-enoic acid
CID 87787293
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473

Frequently Asked Questions

What is the IUPAC name of but-2-enoic acid;formic acid?
The IUPAC name of but-2-enoic acid;formic acid (CID 53399155) is but-2-enoic acid;formic acid.
What is the SMILES notation for but-2-enoic acid;formic acid?
The canonical SMILES for but-2-enoic acid;formic acid is CC=CC(=O)O.O=CO.
What is the InChIKey of but-2-enoic acid;formic acid?
The InChIKey is QLVHOWOIOBVGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.CH2O2/c1-2-3-4(5)6;2-1-3/h2-3H,1H3,(H,5,6);1H,(H,2,3).
What are the key properties of but-2-enoic acid;formic acid?
but-2-enoic acid;formic acid has a molecular weight of 132.11 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoic acid;formic acid is sourced from PubChem (CID 53399155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).