2-chloro-3-hydroxypent-2-enoic acid

C5H7ClO3 — CID 134274549

IUPAC2-chloro-3-hydroxypent-2-enoic acid
SMILESCCC(O)=C(Cl)C(=O)O
InChIInChI=1S/C5H7ClO3/c1-2-3(7)4(6)5(8)9/h7H,2H2,1H3,(H,8,9)
InChIKeyWIRIBAQNZXALPL-UHFFFAOYSA-N
MW150.56 g/mol
LogP1.49
Rot. Bonds2

About 2-chloro-3-hydroxypent-2-enoic acid

2-chloro-3-hydroxypent-2-enoic acid (PubChem CID 134274549) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is 2-chloro-3-hydroxypent-2-enoic acid.

Molecular Properties

Compound Name2-chloro-3-hydroxypent-2-enoic acid
PubChem CID134274549
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name2-chloro-3-hydroxypent-2-enoic acid
SMILESCCC(O)=C(Cl)C(=O)O
InChIInChI=1S/C5H7ClO3/c1-2-3(7)4(6)5(8)9/h7H,2H2,1H3,(H,8,9)
InChIKeyWIRIBAQNZXALPL-UHFFFAOYSA-N
XLogP1.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-hydroxy-2-methylpent-2-enoic acid
CID 54723560
mercury(2+);propanoic acid
CID 23623813
2,3,3-trichloroprop-2-enoic acid
CID 16742
3-chloro-2-ethylpent-2-enoic acid
CID 139927928
benzene;propanoyl chloride;dihydrate
CID 174835832
(E)-2,3-dichlorooctadec-2-enoic acid
CID 3037345
(E)-2,3-dichloro-4-hydroxybut-2-enoic acid
CID 175402057
(E)-2-ethylbut-2-enoic acid;hydrate
CID 162318068
acetaldehyde;2-oxobutanoic acid
CID 157461370
propanoic acid;dihydrofluoride
CID 173419874
propanoic acid;zirconium
CID 88666887
hydrogen peroxide;pentan-3-one
CID 18361632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-hydroxypent-2-enoic acid?
The IUPAC name of 2-chloro-3-hydroxypent-2-enoic acid (CID 134274549) is 2-chloro-3-hydroxypent-2-enoic acid.
What is the SMILES notation for 2-chloro-3-hydroxypent-2-enoic acid?
The canonical SMILES for 2-chloro-3-hydroxypent-2-enoic acid is CCC(O)=C(Cl)C(=O)O.
What is the InChIKey of 2-chloro-3-hydroxypent-2-enoic acid?
The InChIKey is WIRIBAQNZXALPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO3/c1-2-3(7)4(6)5(8)9/h7H,2H2,1H3,(H,8,9).
What are the key properties of 2-chloro-3-hydroxypent-2-enoic acid?
2-chloro-3-hydroxypent-2-enoic acid has a molecular weight of 150.56 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hydroxypent-2-enoic acid is sourced from PubChem (CID 134274549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).