ethyl 2-cyclopropyl-2-oxoacetate

C7H10O3 — CID 18370816

IUPACethyl 2-cyclopropyl-2-oxoacetate
SMILESCCOC(=O)C(=O)C1CC1
InChIInChI=1S/C7H10O3/c1-2-10-7(9)6(8)5-3-4-5/h5H,2-4H2,1H3
InChIKeyAIXRDYQKFOHJBO-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds3

About ethyl 2-cyclopropyl-2-oxoacetate

ethyl 2-cyclopropyl-2-oxoacetate (PubChem CID 18370816) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-oxoacetate
PubChem CID18370816
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameethyl 2-cyclopropyl-2-oxoacetate
SMILESCCOC(=O)C(=O)C1CC1
InChIInChI=1S/C7H10O3/c1-2-10-7(9)6(8)5-3-4-5/h5H,2-4H2,1H3
InChIKeyAIXRDYQKFOHJBO-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate
CID 66901539
ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate
CID 64919879
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl (E)-2-(cyclohexanecarbonyl)-3-hydroxyprop-2-enoate
CID 22887569
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 3,3-dicyano-2-cyclopropylprop-2-enoate
CID 118561717
ethyl N-(cyclopropanecarbonyl)carbamate
CID 45084465
ethyl 2-cyano-3,3-dicyclopropylprop-2-enoate
CID 21305
CID 159370772
CID 159370772
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
CID 171098969

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-oxoacetate?
The IUPAC name of ethyl 2-cyclopropyl-2-oxoacetate (CID 18370816) is ethyl 2-cyclopropyl-2-oxoacetate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-oxoacetate?
The canonical SMILES for ethyl 2-cyclopropyl-2-oxoacetate is CCOC(=O)C(=O)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-oxoacetate?
The InChIKey is AIXRDYQKFOHJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-10-7(9)6(8)5-3-4-5/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-2-oxoacetate?
ethyl 2-cyclopropyl-2-oxoacetate has a molecular weight of 142.15 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-oxoacetate is sourced from PubChem (CID 18370816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).