(Z)-but-2-enoic acid

C4H6O2 — CID 643792

IUPAC(Z)-but-2-enoic acid
SMILESC/C=C\C(=O)O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
InChIKeyLDHQCZJRKDOVOX-IHWYPQMZSA-N
MW86.09 g/mol
LogP0.65
Rot. Bonds1

About (Z)-but-2-enoic acid

(Z)-but-2-enoic acid (PubChem CID 643792) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is (Z)-but-2-enoic acid.

Molecular Properties

Compound Name(Z)-but-2-enoic acid
PubChem CID643792
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name(Z)-but-2-enoic acid
SMILESC/C=C\C(=O)O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
InChIKeyLDHQCZJRKDOVOX-IHWYPQMZSA-N
XLogP0.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enoic acid?
The IUPAC name of (Z)-but-2-enoic acid (CID 643792) is (Z)-but-2-enoic acid.
What is the SMILES notation for (Z)-but-2-enoic acid?
The canonical SMILES for (Z)-but-2-enoic acid is C/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enoic acid?
The InChIKey is LDHQCZJRKDOVOX-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-.
What are the key properties of (Z)-but-2-enoic acid?
(Z)-but-2-enoic acid has a molecular weight of 86.09 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enoic acid is sourced from PubChem (CID 643792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).