trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate

C7H10O3 — CID 7006445

IUPACtrans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H]1C=O
InChIInChI=1S/C7H10O3/c1-2-10-7(9)6-3-5(6)4-8/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
InChIKeyMDWXTLNIZCHBJE-WDSKDSINSA-N
MW142.15 g/mol
LogP0.38
Rot. Bonds3

About trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate

trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate (PubChem CID 7006445) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
PubChem CID7006445
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nametrans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H]1C=O
InChIInChI=1S/C7H10O3/c1-2-10-7(9)6-3-5(6)4-8/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
InChIKeyMDWXTLNIZCHBJE-WDSKDSINSA-N
XLogP0.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Related Compounds

ethyl 2-prop-1-enylcyclopropane-1-carboxylate
CID 556831
ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate
CID 123260904
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate
CID 143394150
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
ethyl (1R,2R,5R,6R)-2-formylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469534

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate (CID 7006445) is trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@H]1C=O.
What is the InChIKey of trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate?
The InChIKey is MDWXTLNIZCHBJE-WDSKDSINSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-10-7(9)6-3-5(6)4-8/h4-6H,2-3H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate?
trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate has a molecular weight of 142.15 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate is sourced from PubChem (CID 7006445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).