ethyl 3-cyclopropylbut-2-enoate

C9H14O2 — CID 71357154

IUPACethyl 3-cyclopropylbut-2-enoate
SMILESCCOC(=O)C=C(C)C1CC1
InChIInChI=1S/C9H14O2/c1-3-11-9(10)6-7(2)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyGCWPTUQEFGYCEC-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About ethyl 3-cyclopropylbut-2-enoate

ethyl 3-cyclopropylbut-2-enoate (PubChem CID 71357154) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl 3-cyclopropylbut-2-enoate.

Molecular Properties

Compound Nameethyl 3-cyclopropylbut-2-enoate
PubChem CID71357154
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl 3-cyclopropylbut-2-enoate
SMILESCCOC(=O)C=C(C)C1CC1
InChIInChI=1S/C9H14O2/c1-3-11-9(10)6-7(2)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyGCWPTUQEFGYCEC-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropylbut-2-enoate?
The IUPAC name of ethyl 3-cyclopropylbut-2-enoate (CID 71357154) is ethyl 3-cyclopropylbut-2-enoate.
What is the SMILES notation for ethyl 3-cyclopropylbut-2-enoate?
The canonical SMILES for ethyl 3-cyclopropylbut-2-enoate is CCOC(=O)C=C(C)C1CC1.
What is the InChIKey of ethyl 3-cyclopropylbut-2-enoate?
The InChIKey is GCWPTUQEFGYCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-9(10)6-7(2)8-4-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of ethyl 3-cyclopropylbut-2-enoate?
ethyl 3-cyclopropylbut-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropylbut-2-enoate is sourced from PubChem (CID 71357154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).