cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate

C7H10O3 — CID 93496244

IUPACcis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H]1C=O
InChIInChI=1S/C7H10O3/c1-10-7(9)6-3-2-5(6)4-8/h4-6H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyOQZAJVAZYFQWLP-RITPCOANSA-N
MW142.15 g/mol
LogP0.38
Rot. Bonds2

About cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate

cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate (PubChem CID 93496244) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate
PubChem CID93496244
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namecis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H]1C=O
InChIInChI=1S/C7H10O3/c1-10-7(9)6-3-2-5(6)4-8/h4-6H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyOQZAJVAZYFQWLP-RITPCOANSA-N
XLogP0.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate 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

methyl 2-formylcyclobutane-1-carboxylate
CID 12721333
trans-methyl (1S,2R)-2-formylcyclohexane-1-carboxylate
CID 11126697
tert-butyl 2-formylcyclobutane-1-carboxylate
CID 165438429
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl (1S,6R)-6-formylcyclohex-3-ene-1-carboxylate
CID 57119350
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
CID 59802095
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate (CID 93496244) is cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate is COC(=O)[C@H]1CC[C@@H]1C=O.
What is the InChIKey of cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate?
The InChIKey is OQZAJVAZYFQWLP-RITPCOANSA-N. The full InChI is InChI=1S/C7H10O3/c1-10-7(9)6-3-2-5(6)4-8/h4-6H,2-3H2,1H3/t5-,6+/m1/s1.
What are the key properties of cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate?
cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate has a molecular weight of 142.15 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate is sourced from PubChem (CID 93496244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).