ethene;2-methylprop-2-enoic acid;prop-2-enoic acid

C9H14O4 — CID 87273953

IUPACethene;2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC=C.C=C(C)C(=O)O.C=CC(=O)O
InChIInChI=1S/C4H6O2.C3H4O2.C2H4/c1-3(2)4(5)6;1-2-3(4)5;1-2/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1-2H2
InChIKeyTVCREPVYTSWAIT-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.71
Rot. Bonds2

About ethene;2-methylprop-2-enoic acid;prop-2-enoic acid

ethene;2-methylprop-2-enoic acid;prop-2-enoic acid (PubChem CID 87273953) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethene;2-methylprop-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Nameethene;2-methylprop-2-enoic acid;prop-2-enoic acid
PubChem CID87273953
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethene;2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC=C.C=C(C)C(=O)O.C=CC(=O)O
InChIInChI=1S/C4H6O2.C3H4O2.C2H4/c1-3(2)4(5)6;1-2-3(4)5;1-2/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1-2H2
InChIKeyTVCREPVYTSWAIT-UHFFFAOYSA-N
XLogP1.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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;2-methylprop-2-enoic acid;prop-2-enoic acid?
The IUPAC name of ethene;2-methylprop-2-enoic acid;prop-2-enoic acid (CID 87273953) is ethene;2-methylprop-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for ethene;2-methylprop-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for ethene;2-methylprop-2-enoic acid;prop-2-enoic acid is C=C.C=C(C)C(=O)O.C=CC(=O)O.
What is the InChIKey of ethene;2-methylprop-2-enoic acid;prop-2-enoic acid?
The InChIKey is TVCREPVYTSWAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H4O2.C2H4/c1-3(2)4(5)6;1-2-3(4)5;1-2/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1-2H2.
What are the key properties of ethene;2-methylprop-2-enoic acid;prop-2-enoic acid?
ethene;2-methylprop-2-enoic acid;prop-2-enoic acid has a molecular weight of 186.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylprop-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 87273953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).