2-(1-hydroxyethenyl)pent-4-enoic acid

C7H10O3 — CID 173039321

IUPAC2-(1-hydroxyethenyl)pent-4-enoic acid
SMILESC=CCC(C(=C)O)C(=O)O
InChIInChI=1S/C7H10O3/c1-3-4-6(5(2)8)7(9)10/h3,6,8H,1-2,4H2,(H,9,10)
InChIKeyWDTSCMGPFJSMDV-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.34
Rot. Bonds4

About 2-(1-hydroxyethenyl)pent-4-enoic acid

2-(1-hydroxyethenyl)pent-4-enoic acid (PubChem CID 173039321) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(1-hydroxyethenyl)pent-4-enoic acid.

Molecular Properties

Compound Name2-(1-hydroxyethenyl)pent-4-enoic acid
PubChem CID173039321
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(1-hydroxyethenyl)pent-4-enoic acid
SMILESC=CCC(C(=C)O)C(=O)O
InChIInChI=1S/C7H10O3/c1-3-4-6(5(2)8)7(9)10/h3,6,8H,1-2,4H2,(H,9,10)
InChIKeyWDTSCMGPFJSMDV-UHFFFAOYSA-N
XLogP1.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroacetyl)pent-4-enoic acid
CID 87583717
lithium;dihydrogen borate;bis(2-prop-2-enylpropanedioic acid)
CID 175964923
2-(1-hydroxyethyl)pent-4-enoic acid
CID 18940262
2-hepta-1,6-dien-4-ylpropanedioic acid
CID 88756063
2-chloropent-4-enoic acid
CID 20540306
2-nitrosopent-4-enoic acid
CID 57318320
3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 53444964
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 56923702
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
2-methylidene-3-prop-2-enylbutanediperoxoic acid
CID 88750956
(2R)-2-phenylmethoxycarbonylpent-4-enoic acid
CID 66844802

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethenyl)pent-4-enoic acid?
The IUPAC name of 2-(1-hydroxyethenyl)pent-4-enoic acid (CID 173039321) is 2-(1-hydroxyethenyl)pent-4-enoic acid.
What is the SMILES notation for 2-(1-hydroxyethenyl)pent-4-enoic acid?
The canonical SMILES for 2-(1-hydroxyethenyl)pent-4-enoic acid is C=CCC(C(=C)O)C(=O)O.
What is the InChIKey of 2-(1-hydroxyethenyl)pent-4-enoic acid?
The InChIKey is WDTSCMGPFJSMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-4-6(5(2)8)7(9)10/h3,6,8H,1-2,4H2,(H,9,10).
What are the key properties of 2-(1-hydroxyethenyl)pent-4-enoic acid?
2-(1-hydroxyethenyl)pent-4-enoic acid has a molecular weight of 142.15 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethenyl)pent-4-enoic acid is sourced from PubChem (CID 173039321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).