ethene;prop-2-enoic acid;hydrate

C5H10O3 — CID 174424399

IUPACethene;prop-2-enoic acid;hydrate
SMILESC=C.C=CC(=O)O.O
InChIInChI=1S/C3H4O2.C2H4.H2O/c1-2-3(4)5;1-2;/h2H,1H2,(H,4,5);1-2H2;1H2
InChIKeyRCJOTCSINAOEDJ-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.23
Rot. Bonds1

About ethene;prop-2-enoic acid;hydrate

ethene;prop-2-enoic acid;hydrate (PubChem CID 174424399) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is ethene;prop-2-enoic acid;hydrate.

Molecular Properties

Compound Nameethene;prop-2-enoic acid;hydrate
PubChem CID174424399
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Nameethene;prop-2-enoic acid;hydrate
SMILESC=C.C=CC(=O)O.O
InChIInChI=1S/C3H4O2.C2H4.H2O/c1-2-3(4)5;1-2;/h2H,1H2,(H,4,5);1-2H2;1H2
InChIKeyRCJOTCSINAOEDJ-UHFFFAOYSA-N
XLogP0.23
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;prop-2-enoic acid;hydrate?
The IUPAC name of ethene;prop-2-enoic acid;hydrate (CID 174424399) is ethene;prop-2-enoic acid;hydrate.
What is the SMILES notation for ethene;prop-2-enoic acid;hydrate?
The canonical SMILES for ethene;prop-2-enoic acid;hydrate is C=C.C=CC(=O)O.O.
What is the InChIKey of ethene;prop-2-enoic acid;hydrate?
The InChIKey is RCJOTCSINAOEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H4.H2O/c1-2-3(4)5;1-2;/h2H,1H2,(H,4,5);1-2H2;1H2.
What are the key properties of ethene;prop-2-enoic acid;hydrate?
ethene;prop-2-enoic acid;hydrate has a molecular weight of 118.13 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;prop-2-enoic acid;hydrate is sourced from PubChem (CID 174424399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).