methyl 2-(1-methylcyclopropyl)-2-oxoacetate

C7H10O3 — CID 88974877

IUPACmethyl 2-(1-methylcyclopropyl)-2-oxoacetate
SMILESCOC(=O)C(=O)C1(C)CC1
InChIInChI=1S/C7H10O3/c1-7(3-4-7)5(8)6(9)10-2/h3-4H2,1-2H3
InChIKeyAUGRYMFUKXDOJI-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds2

About methyl 2-(1-methylcyclopropyl)-2-oxoacetate

methyl 2-(1-methylcyclopropyl)-2-oxoacetate (PubChem CID 88974877) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 2-(1-methylcyclopropyl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(1-methylcyclopropyl)-2-oxoacetate
PubChem CID88974877
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 2-(1-methylcyclopropyl)-2-oxoacetate
SMILESCOC(=O)C(=O)C1(C)CC1
InChIInChI=1S/C7H10O3/c1-7(3-4-7)5(8)6(9)10-2/h3-4H2,1-2H3
InChIKeyAUGRYMFUKXDOJI-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylcyclopropyl)-2-oxoacetate?
The IUPAC name of methyl 2-(1-methylcyclopropyl)-2-oxoacetate (CID 88974877) is methyl 2-(1-methylcyclopropyl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(1-methylcyclopropyl)-2-oxoacetate?
The canonical SMILES for methyl 2-(1-methylcyclopropyl)-2-oxoacetate is COC(=O)C(=O)C1(C)CC1.
What is the InChIKey of methyl 2-(1-methylcyclopropyl)-2-oxoacetate?
The InChIKey is AUGRYMFUKXDOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(3-4-7)5(8)6(9)10-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-(1-methylcyclopropyl)-2-oxoacetate?
methyl 2-(1-methylcyclopropyl)-2-oxoacetate has a molecular weight of 142.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylcyclopropyl)-2-oxoacetate is sourced from PubChem (CID 88974877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).