(Z)-4-hydroxypent-2-enal

C5H8O2 — CID 89185005

IUPAC(Z)-4-hydroxypent-2-enal
SMILESCC(O)/C=C\C=O
InChIInChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2-5,7H,1H3/b3-2-
InChIKeyOFWXLYPSGLVHNC-IHWYPQMZSA-N
MW100.12 g/mol
LogP0.12
Rot. Bonds2

About (Z)-4-hydroxypent-2-enal

(Z)-4-hydroxypent-2-enal (PubChem CID 89185005) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (Z)-4-hydroxypent-2-enal.

Molecular Properties

Compound Name(Z)-4-hydroxypent-2-enal
PubChem CID89185005
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(Z)-4-hydroxypent-2-enal
SMILESCC(O)/C=C\C=O
InChIInChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2-5,7H,1H3/b3-2-
InChIKeyOFWXLYPSGLVHNC-IHWYPQMZSA-N
XLogP0.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.12
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-2-enal?
The IUPAC name of (Z)-4-hydroxypent-2-enal (CID 89185005) is (Z)-4-hydroxypent-2-enal.
What is the SMILES notation for (Z)-4-hydroxypent-2-enal?
The canonical SMILES for (Z)-4-hydroxypent-2-enal is CC(O)/C=C\C=O.
What is the InChIKey of (Z)-4-hydroxypent-2-enal?
The InChIKey is OFWXLYPSGLVHNC-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2-5,7H,1H3/b3-2-.
What are the key properties of (Z)-4-hydroxypent-2-enal?
(Z)-4-hydroxypent-2-enal has a molecular weight of 100.12 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-2-enal is sourced from PubChem (CID 89185005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).