ethyl 2-methylidenecyclopropane-1-carboxylate

C7H10O2 — CID 519611

IUPACethyl 2-methylidenecyclopropane-1-carboxylate
SMILESC=C1CC1C(=O)OCC
InChIInChI=1S/C7H10O2/c1-3-9-7(8)6-4-5(6)2/h6H,2-4H2,1H3
InChIKeySPCOBAXZQGNBHE-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.13
Rot. Bonds2

About ethyl 2-methylidenecyclopropane-1-carboxylate

ethyl 2-methylidenecyclopropane-1-carboxylate (PubChem CID 519611) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is ethyl 2-methylidenecyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylidenecyclopropane-1-carboxylate
PubChem CID519611
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Nameethyl 2-methylidenecyclopropane-1-carboxylate
SMILESC=C1CC1C(=O)OCC
InChIInChI=1S/C7H10O2/c1-3-9-7(8)6-4-5(6)2/h6H,2-4H2,1H3
InChIKeySPCOBAXZQGNBHE-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.13
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 ethyl 2-methylidenecyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-methylidenecyclopropane-1-carboxylate (CID 519611) is ethyl 2-methylidenecyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-methylidenecyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-methylidenecyclopropane-1-carboxylate is C=C1CC1C(=O)OCC.
What is the InChIKey of ethyl 2-methylidenecyclopropane-1-carboxylate?
The InChIKey is SPCOBAXZQGNBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-9-7(8)6-4-5(6)2/h6H,2-4H2,1H3.
What are the key properties of ethyl 2-methylidenecyclopropane-1-carboxylate?
ethyl 2-methylidenecyclopropane-1-carboxylate has a molecular weight of 126.16 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylidenecyclopropane-1-carboxylate is sourced from PubChem (CID 519611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).