ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate

C10H15ClO2 — CID 100936979

IUPACethyl (E)-2-chloro-3-cyclopentylprop-2-enoate
SMILESCCOC(=O)/C(Cl)=C\C1CCCC1
InChIInChI=1S/C10H15ClO2/c1-2-13-10(12)9(11)7-8-5-3-4-6-8/h7-8H,2-6H2,1H3/b9-7+
InChIKeyIEIANGOJLYGGNK-VQHVLOKHSA-N
MW202.68 g/mol
LogP2.86
Rot. Bonds3

About ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate

ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate (PubChem CID 100936979) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-chloro-3-cyclopentylprop-2-enoate
PubChem CID100936979
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Nameethyl (E)-2-chloro-3-cyclopentylprop-2-enoate
SMILESCCOC(=O)/C(Cl)=C\C1CCCC1
InChIInChI=1S/C10H15ClO2/c1-2-13-10(12)9(11)7-8-5-3-4-6-8/h7-8H,2-6H2,1H3/b9-7+
InChIKeyIEIANGOJLYGGNK-VQHVLOKHSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.86
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 (E)-2-chloro-3-cyclopentylprop-2-enoate?
The IUPAC name of ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate (CID 100936979) is ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate is CCOC(=O)/C(Cl)=C\C1CCCC1.
What is the InChIKey of ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate?
The InChIKey is IEIANGOJLYGGNK-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-2-13-10(12)9(11)7-8-5-3-4-6-8/h7-8H,2-6H2,1H3/b9-7+.
What are the key properties of ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate?
ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate has a molecular weight of 202.68 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-chloro-3-cyclopentylprop-2-enoate is sourced from PubChem (CID 100936979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).