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

C8H14O2 — CID 158994925

IUPAC(Z)-but-2-ene;(Z)-but-2-enoic acid
SMILESC/C=C\C.C/C=C\C(=O)O
InChIInChI=1S/C4H6O2.C4H8/c1-2-3-4(5)6;1-3-4-2/h2-3H,1H3,(H,5,6);3-4H,1-2H3/b3-2-;4-3-
InChIKeyJQPURQFIKQEPAR-NFNPGWMBSA-N
MW142.20 g/mol
LogP2.23
Rot. Bonds1

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

(Z)-but-2-ene;(Z)-but-2-enoic acid (PubChem CID 158994925) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z)-but-2-ene;(Z)-but-2-enoic acid.

Molecular Properties

Compound Name(Z)-but-2-ene;(Z)-but-2-enoic acid
PubChem CID158994925
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(Z)-but-2-ene;(Z)-but-2-enoic acid
SMILESC/C=C\C.C/C=C\C(=O)O
InChIInChI=1S/C4H6O2.C4H8/c1-2-3-4(5)6;1-3-4-2/h2-3H,1H3,(H,5,6);3-4H,1-2H3/b3-2-;4-3-
InChIKeyJQPURQFIKQEPAR-NFNPGWMBSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-enoic acid;yttrium
CID 58782397
barium(2+);but-2-enoic acid;hydride
CID 173455030
but-2-enoic acid;phosphane;hydrate
CID 161337391
but-2-enoic acid;formic acid
CID 53399155
but-2-enoic acid;N-methylmethanamine;hydrochloride
CID 173091669
4-oxohepta-2,5-dienoic acid
CID 54093333
(Z)-but-2-enoic acid;2-methylprop-2-enoic acid
CID 87787293
but-2-enoic acid;pentan-3-one
CID 173308572
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473
but-2-enoic acid;tetracosane
CID 159276528
but-2-enoic acid;2-tert-butylperoxy-2-methylpropane
CID 162086796

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;(Z)-but-2-enoic acid?
The IUPAC name of (Z)-but-2-ene;(Z)-but-2-enoic acid (CID 158994925) is (Z)-but-2-ene;(Z)-but-2-enoic acid.
What is the SMILES notation for (Z)-but-2-ene;(Z)-but-2-enoic acid?
The canonical SMILES for (Z)-but-2-ene;(Z)-but-2-enoic acid is C/C=C\C.C/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-ene;(Z)-but-2-enoic acid?
The InChIKey is JQPURQFIKQEPAR-NFNPGWMBSA-N. The full InChI is InChI=1S/C4H6O2.C4H8/c1-2-3-4(5)6;1-3-4-2/h2-3H,1H3,(H,5,6);3-4H,1-2H3/b3-2-;4-3-.
What are the key properties of (Z)-but-2-ene;(Z)-but-2-enoic acid?
(Z)-but-2-ene;(Z)-but-2-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;(Z)-but-2-enoic acid is sourced from PubChem (CID 158994925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).