2-cycloprop-2-en-1-ylideneacetic acid

C5H4O2 — CID 131854742

IUPAC2-cycloprop-2-en-1-ylideneacetic acid
SMILESO=C(O)C=C1C=C1
InChIInChI=1S/C5H4O2/c6-5(7)3-4-1-2-4/h1-3H,(H,6,7)
InChIKeyQWGTXLWLVWDFEU-UHFFFAOYSA-N
MW96.08 g/mol
LogP0.57
Rot. Bonds1

About 2-cycloprop-2-en-1-ylideneacetic acid

2-cycloprop-2-en-1-ylideneacetic acid (PubChem CID 131854742) has the molecular formula C5H4O2 and a molecular weight of 96.08 g/mol. Its IUPAC name is 2-cycloprop-2-en-1-ylideneacetic acid.

Molecular Properties

Compound Name2-cycloprop-2-en-1-ylideneacetic acid
PubChem CID131854742
Molecular FormulaC5H4O2
Molecular Weight96.08 g/mol
Exact Mass96.02
IUPAC Name2-cycloprop-2-en-1-ylideneacetic acid
SMILESO=C(O)C=C1C=C1
InChIInChI=1S/C5H4O2/c6-5(7)3-4-1-2-4/h1-3H,(H,6,7)
InChIKeyQWGTXLWLVWDFEU-UHFFFAOYSA-N
XLogP0.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.08
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(2,2-dimethylcyclopropylidene)acetic acid
CID 122199254
(2Z)-2-(1H-pyridin-2-ylidene)acetic acid
CID 101366543
(E)-but-2-enedioic acid;cyclohexa-2,5-diene-1,4-dione
CID 67262273
cyclohexa-2,5-diene-1,4-dione;prop-2-enoic acid
CID 67642756
2-(2,2,3-trimethyl-5-oxocyclopent-3-en-1-ylidene)acetic acid
CID 140519943
2-cyclooctylideneacetic acid
CID 10442086
(2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid
CID 82276593
(2E)-2-cyclohex-3-en-1-ylideneacetic acid
CID 55302338
(2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid
CID 90472852
(Z)-but-2-enedioic acid;isoindole-1,3-dione
CID 69393204
(2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid
CID 57272757
2-[(1R,5R)-4-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
CID 68616017

Frequently Asked Questions

What is the IUPAC name of 2-cycloprop-2-en-1-ylideneacetic acid?
The IUPAC name of 2-cycloprop-2-en-1-ylideneacetic acid (CID 131854742) is 2-cycloprop-2-en-1-ylideneacetic acid.
What is the SMILES notation for 2-cycloprop-2-en-1-ylideneacetic acid?
The canonical SMILES for 2-cycloprop-2-en-1-ylideneacetic acid is O=C(O)C=C1C=C1.
What is the InChIKey of 2-cycloprop-2-en-1-ylideneacetic acid?
The InChIKey is QWGTXLWLVWDFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2/c6-5(7)3-4-1-2-4/h1-3H,(H,6,7).
What are the key properties of 2-cycloprop-2-en-1-ylideneacetic acid?
2-cycloprop-2-en-1-ylideneacetic acid has a molecular weight of 96.08 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloprop-2-en-1-ylideneacetic acid is sourced from PubChem (CID 131854742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).