(E)-1-hydroxypent-1-en-3-one

C5H8O2 — CID 12637148

IUPAC(E)-1-hydroxypent-1-en-3-one
SMILESCCC(=O)/C=C/O
InChIInChI=1S/C5H8O2/c1-2-5(7)3-4-6/h3-4,6H,2H2,1H3/b4-3+
InChIKeyKVPNDJVCOYDHTM-ONEGZZNKSA-N
MW100.12 g/mol
LogP1.04
Rot. Bonds2

About (E)-1-hydroxypent-1-en-3-one

(E)-1-hydroxypent-1-en-3-one (PubChem CID 12637148) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (E)-1-hydroxypent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-hydroxypent-1-en-3-one
PubChem CID12637148
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(E)-1-hydroxypent-1-en-3-one
SMILESCCC(=O)/C=C/O
InChIInChI=1S/C5H8O2/c1-2-5(7)3-4-6/h3-4,6H,2H2,1H3/b4-3+
InChIKeyKVPNDJVCOYDHTM-ONEGZZNKSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroxypent-1-en-3-one?
The IUPAC name of (E)-1-hydroxypent-1-en-3-one (CID 12637148) is (E)-1-hydroxypent-1-en-3-one.
What is the SMILES notation for (E)-1-hydroxypent-1-en-3-one?
The canonical SMILES for (E)-1-hydroxypent-1-en-3-one is CCC(=O)/C=C/O.
What is the InChIKey of (E)-1-hydroxypent-1-en-3-one?
The InChIKey is KVPNDJVCOYDHTM-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h3-4,6H,2H2,1H3/b4-3+.
What are the key properties of (E)-1-hydroxypent-1-en-3-one?
(E)-1-hydroxypent-1-en-3-one has a molecular weight of 100.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxypent-1-en-3-one is sourced from PubChem (CID 12637148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).