dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate

C10H12O5 — CID 15417311

IUPACdimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1/C=C/C=O
InChIInChI=1S/C10H12O5/c1-14-8(12)10(9(13)15-2)6-7(10)4-3-5-11/h3-5,7H,6H2,1-2H3/b4-3+
InChIKeyQHVBEFKCZLKPQW-ONEGZZNKSA-N
MW212.20 g/mol
LogP0.09
Rot. Bonds4

About dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate

dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate (PubChem CID 15417311) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate
PubChem CID15417311
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namedimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1/C=C/C=O
InChIInChI=1S/C10H12O5/c1-14-8(12)10(9(13)15-2)6-7(10)4-3-5-11/h3-5,7H,6H2,1-2H3/b4-3+
InChIKeyQHVBEFKCZLKPQW-ONEGZZNKSA-N
XLogP0.09
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate 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

diethyl 2-[(E)-3-oxobut-1-enyl]cyclopropane-1,1-dicarboxylate
CID 20327015
dimethyl 2-[(E)-3-oxobut-1-enyl]cyclopropane-1,1-dicarboxylate
CID 20327021
Dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate
CID 556403
diethyl (2R)-2-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 10036640
dimethyl 2-[(1E)-buta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 11095879
dimethyl 2-[(1E,3E)-penta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 14023124
dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 14044385
Dimethyl 2-(buta-1,3-dien-1-yl)cyclopropane-1,1-dicarboxylate
CID 71330691
dimethyl 2-[(E)-hex-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143480
dimethyl 2-[(E)-oct-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143481
trans-dimethyl (2S,3S)-2-formyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 134962433
dimethyl 2-[(E)-5-oxopent-3-enyl]-2-prop-2-enylpropanedioate
CID 134987509

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate (CID 15417311) is dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC1/C=C/C=O.
What is the InChIKey of dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is QHVBEFKCZLKPQW-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12O5/c1-14-8(12)10(9(13)15-2)6-7(10)4-3-5-11/h3-5,7H,6H2,1-2H3/b4-3+.
What are the key properties of dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate?
dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 15417311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).