(Z)-pent-2-enoic acid

C5H8O2 — CID 643793

IUPAC(Z)-pent-2-enoic acid
SMILESCC/C=C\C(=O)O
InChIInChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InChIKeyYIYBQIKDCADOSF-ARJAWSKDSA-N
MW100.12 g/mol
LogP1.04
Rot. Bonds2

About (Z)-pent-2-enoic acid

(Z)-pent-2-enoic acid (PubChem CID 643793) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (Z)-pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-pent-2-enoic acid
PubChem CID643793
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(Z)-pent-2-enoic acid
SMILESCC/C=C\C(=O)O
InChIInChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InChIKeyYIYBQIKDCADOSF-ARJAWSKDSA-N
XLogP1.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.04
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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Related Compounds

Crotonic Acid
CID 637090
Glutaconic acid
CID 5280498
trans-2-Pentenoic acid
CID 638122
trans-2-Octenoic acid
CID 5282714
2-Heptenoic acid
CID 5282709
2-Methyl-2-pentenoic acid
CID 5365909
2-Hexenoic acid, (2E)-
CID 5282707
4-Methyl-2-pentenoic acid
CID 12216200
2-Methyl-2-pentenoic acid, (2Z)-
CID 6436344
2-Hexenoic acid
CID 14486
2-Methylpent-2-en-1-oic acid
CID 18458
2-Butenoic acid
CID 19499

Frequently Asked Questions

What is the IUPAC name of (Z)-pent-2-enoic acid?
The IUPAC name of (Z)-pent-2-enoic acid (CID 643793) is (Z)-pent-2-enoic acid.
What is the SMILES notation for (Z)-pent-2-enoic acid?
The canonical SMILES for (Z)-pent-2-enoic acid is CC/C=C\C(=O)O.
What is the InChIKey of (Z)-pent-2-enoic acid?
The InChIKey is YIYBQIKDCADOSF-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-.
What are the key properties of (Z)-pent-2-enoic acid?
(Z)-pent-2-enoic acid has a molecular weight of 100.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pent-2-enoic acid is sourced from PubChem (CID 643793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).