(Z)-3-cyclobutylprop-2-enoic acid

C7H10O2 — CID 97289893

IUPAC(Z)-3-cyclobutylprop-2-enoic acid
SMILESO=C(O)/C=C\C1CCC1
InChIInChI=1S/C7H10O2/c8-7(9)5-4-6-2-1-3-6/h4-6H,1-3H2,(H,8,9)/b5-4-
InChIKeyDPAPXZGBOOPZNH-PLNGDYQASA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds2

About (Z)-3-cyclobutylprop-2-enoic acid

(Z)-3-cyclobutylprop-2-enoic acid (PubChem CID 97289893) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (Z)-3-cyclobutylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclobutylprop-2-enoic acid
PubChem CID97289893
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(Z)-3-cyclobutylprop-2-enoic acid
SMILESO=C(O)/C=C\C1CCC1
InChIInChI=1S/C7H10O2/c8-7(9)5-4-6-2-1-3-6/h4-6H,1-3H2,(H,8,9)/b5-4-
InChIKeyDPAPXZGBOOPZNH-PLNGDYQASA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-cyclobutylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclobutylprop-2-enoic acid?
The IUPAC name of (Z)-3-cyclobutylprop-2-enoic acid (CID 97289893) is (Z)-3-cyclobutylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclobutylprop-2-enoic acid?
The canonical SMILES for (Z)-3-cyclobutylprop-2-enoic acid is O=C(O)/C=C\C1CCC1.
What is the InChIKey of (Z)-3-cyclobutylprop-2-enoic acid?
The InChIKey is DPAPXZGBOOPZNH-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10O2/c8-7(9)5-4-6-2-1-3-6/h4-6H,1-3H2,(H,8,9)/b5-4-.
What are the key properties of (Z)-3-cyclobutylprop-2-enoic acid?
(Z)-3-cyclobutylprop-2-enoic acid has a molecular weight of 126.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclobutylprop-2-enoic acid is sourced from PubChem (CID 97289893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).