methyl 3-(cyclopropen-1-yl)propanoate

C7H10O2 — CID 159965335

IUPACmethyl 3-(cyclopropen-1-yl)propanoate
SMILESCOC(=O)CCC1=CC1
InChIInChI=1S/C7H10O2/c1-9-7(8)5-4-6-2-3-6/h2H,3-5H2,1H3
InChIKeyODVZMHUASAKUDQ-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds3

About methyl 3-(cyclopropen-1-yl)propanoate

methyl 3-(cyclopropen-1-yl)propanoate (PubChem CID 159965335) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is methyl 3-(cyclopropen-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropen-1-yl)propanoate
PubChem CID159965335
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namemethyl 3-(cyclopropen-1-yl)propanoate
SMILESCOC(=O)CCC1=CC1
InChIInChI=1S/C7H10O2/c1-9-7(8)5-4-6-2-3-6/h2H,3-5H2,1H3
InChIKeyODVZMHUASAKUDQ-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropen-1-yl)propanoate?
The IUPAC name of methyl 3-(cyclopropen-1-yl)propanoate (CID 159965335) is methyl 3-(cyclopropen-1-yl)propanoate.
What is the SMILES notation for methyl 3-(cyclopropen-1-yl)propanoate?
The canonical SMILES for methyl 3-(cyclopropen-1-yl)propanoate is COC(=O)CCC1=CC1.
What is the InChIKey of methyl 3-(cyclopropen-1-yl)propanoate?
The InChIKey is ODVZMHUASAKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-9-7(8)5-4-6-2-3-6/h2H,3-5H2,1H3.
What are the key properties of methyl 3-(cyclopropen-1-yl)propanoate?
methyl 3-(cyclopropen-1-yl)propanoate has a molecular weight of 126.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropen-1-yl)propanoate is sourced from PubChem (CID 159965335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).