(1-methyl-3-oxocyclobutyl) prop-2-enoate

C8H10O3 — CID 154597536

IUPAC(1-methyl-3-oxocyclobutyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CC(=O)C1
InChIInChI=1S/C8H10O3/c1-3-7(10)11-8(2)4-6(9)5-8/h3H,1,4-5H2,2H3
InChIKeyNYGIPKISIZNAPT-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds2

About (1-methyl-3-oxocyclobutyl) prop-2-enoate

(1-methyl-3-oxocyclobutyl) prop-2-enoate (PubChem CID 154597536) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1-methyl-3-oxocyclobutyl) prop-2-enoate.

Molecular Properties

Compound Name(1-methyl-3-oxocyclobutyl) prop-2-enoate
PubChem CID154597536
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1-methyl-3-oxocyclobutyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CC(=O)C1
InChIInChI=1S/C8H10O3/c1-3-7(10)11-8(2)4-6(9)5-8/h3H,1,4-5H2,2H3
InChIKeyNYGIPKISIZNAPT-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-methyl-3-oxocyclobutyl) prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate
CID 22650073
(1,1,4-trimethylsilinan-4-yl) prop-2-enoate
CID 18381221
(2-methyl-5-oxooxolan-2-yl) prop-2-enoate
CID 67204162
(7-acetyloxy-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl) prop-2-enoate
CID 134187130
(1-methylcycloheptyl) prop-2-enoate;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 161154462
(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
CID 22898172
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
[2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate
CID 140812243
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
(1-ethyl-2,2-dimethyl-4,5-dioxocyclopentyl)methyl prop-2-enoate
CID 59609109
(1-methyl-4-pentyl-4-propylcyclohexyl) prop-2-enoate
CID 145215456
prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate
CID 153408459

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-oxocyclobutyl) prop-2-enoate?
The IUPAC name of (1-methyl-3-oxocyclobutyl) prop-2-enoate (CID 154597536) is (1-methyl-3-oxocyclobutyl) prop-2-enoate.
What is the SMILES notation for (1-methyl-3-oxocyclobutyl) prop-2-enoate?
The canonical SMILES for (1-methyl-3-oxocyclobutyl) prop-2-enoate is C=CC(=O)OC1(C)CC(=O)C1.
What is the InChIKey of (1-methyl-3-oxocyclobutyl) prop-2-enoate?
The InChIKey is NYGIPKISIZNAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-7(10)11-8(2)4-6(9)5-8/h3H,1,4-5H2,2H3.
What are the key properties of (1-methyl-3-oxocyclobutyl) prop-2-enoate?
(1-methyl-3-oxocyclobutyl) prop-2-enoate has a molecular weight of 154.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-oxocyclobutyl) prop-2-enoate is sourced from PubChem (CID 154597536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).