prop-2-enyl 4-hydroxybut-3-enoate

C7H10O3 — CID 173111273

IUPACprop-2-enyl 4-hydroxybut-3-enoate
SMILESC=CCOC(=O)CC=CO
InChIInChI=1S/C7H10O3/c1-2-6-10-7(9)4-3-5-8/h2-3,5,8H,1,4,6H2
InChIKeyNUNYEEWCISKPGR-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.18
Rot. Bonds4

About prop-2-enyl 4-hydroxybut-3-enoate

prop-2-enyl 4-hydroxybut-3-enoate (PubChem CID 173111273) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is prop-2-enyl 4-hydroxybut-3-enoate.

Molecular Properties

Compound Nameprop-2-enyl 4-hydroxybut-3-enoate
PubChem CID173111273
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameprop-2-enyl 4-hydroxybut-3-enoate
SMILESC=CCOC(=O)CC=CO
InChIInChI=1S/C7H10O3/c1-2-6-10-7(9)4-3-5-8/h2-3,5,8H,1,4,6H2
InChIKeyNUNYEEWCISKPGR-UHFFFAOYSA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

prop-2-enyl (3E)-hexa-3,5-dienoate
CID 12943289
azane;prop-2-enyl but-3-enoate
CID 88514758
ethyl (Z)-4-hydroxybut-3-enoate
CID 173168664
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
4-but-3-enoyloxybut-2-enoic acid
CID 123546814
bis(prop-2-enyl) 3-aminohex-3-enedioate
CID 139710356
prop-2-enyl 4-hydroxybutanoate
CID 11367059
azane;prop-2-enyl propanoate
CID 87729437
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
prop-2-enyl 4-hydroxy-3-methylbut-3-enoate
CID 173153016
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
5-oxo-5-prop-2-enoxypentanoate
CID 22245436

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-hydroxybut-3-enoate?
The IUPAC name of prop-2-enyl 4-hydroxybut-3-enoate (CID 173111273) is prop-2-enyl 4-hydroxybut-3-enoate.
What is the SMILES notation for prop-2-enyl 4-hydroxybut-3-enoate?
The canonical SMILES for prop-2-enyl 4-hydroxybut-3-enoate is C=CCOC(=O)CC=CO.
What is the InChIKey of prop-2-enyl 4-hydroxybut-3-enoate?
The InChIKey is NUNYEEWCISKPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-6-10-7(9)4-3-5-8/h2-3,5,8H,1,4,6H2.
What are the key properties of prop-2-enyl 4-hydroxybut-3-enoate?
prop-2-enyl 4-hydroxybut-3-enoate has a molecular weight of 142.15 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-hydroxybut-3-enoate is sourced from PubChem (CID 173111273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).