(Z)-but-2-enoic acid;2-methylprop-2-enoic acid

C8H12O4 — CID 87787293

IUPAC(Z)-but-2-enoic acid;2-methylprop-2-enoic acid
SMILESC/C=C\C(=O)O.C=C(C)C(=O)O
InChIInChI=1S/2C4H6O2/c1-3(2)4(5)6;1-2-3-4(5)6/h1H2,2H3,(H,5,6);2-3H,1H3,(H,5,6)/b;3-2-
InChIKeyIAKAIJRXUQFDRQ-AHNKWOMYSA-N
MW172.18 g/mol
LogP1.29
Rot. Bonds2

About (Z)-but-2-enoic acid;2-methylprop-2-enoic acid

(Z)-but-2-enoic acid;2-methylprop-2-enoic acid (PubChem CID 87787293) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (Z)-but-2-enoic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-but-2-enoic acid;2-methylprop-2-enoic acid
PubChem CID87787293
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(Z)-but-2-enoic acid;2-methylprop-2-enoic acid
SMILESC/C=C\C(=O)O.C=C(C)C(=O)O
InChIInChI=1S/2C4H6O2/c1-3(2)4(5)6;1-2-3-4(5)6/h1H2,2H3,(H,5,6);2-3H,1H3,(H,5,6)/b;3-2-
InChIKeyIAKAIJRXUQFDRQ-AHNKWOMYSA-N
XLogP1.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
acetic acid;2-methylprop-2-enoic acid
CID 21426946
but-2-enoic acid;2-methylidenebut-3-enoic acid
CID 174401029
but-2-enoic acid;phosphane;hydrate
CID 161337391
barium(2+);but-2-enoic acid;hydride
CID 173455030
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
but-2-enoic acid;formic acid
CID 53399155
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098
(E)-but-2-enedioic acid;bis(2-methylprop-1-ene)
CID 22055121

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enoic acid;2-methylprop-2-enoic acid?
The IUPAC name of (Z)-but-2-enoic acid;2-methylprop-2-enoic acid (CID 87787293) is (Z)-but-2-enoic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for (Z)-but-2-enoic acid;2-methylprop-2-enoic acid?
The canonical SMILES for (Z)-but-2-enoic acid;2-methylprop-2-enoic acid is C/C=C\C(=O)O.C=C(C)C(=O)O.
What is the InChIKey of (Z)-but-2-enoic acid;2-methylprop-2-enoic acid?
The InChIKey is IAKAIJRXUQFDRQ-AHNKWOMYSA-N. The full InChI is InChI=1S/2C4H6O2/c1-3(2)4(5)6;1-2-3-4(5)6/h1H2,2H3,(H,5,6);2-3H,1H3,(H,5,6)/b;3-2-.
What are the key properties of (Z)-but-2-enoic acid;2-methylprop-2-enoic acid?
(Z)-but-2-enoic acid;2-methylprop-2-enoic acid has a molecular weight of 172.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enoic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 87787293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).