methyl (E)-3-cyclopentylprop-2-enoate

C9H14O2 — CID 10511074

IUPACmethyl (E)-3-cyclopentylprop-2-enoate
SMILESCOC(=O)/C=C/C1CCCC1
InChIInChI=1S/C9H14O2/c1-11-9(10)7-6-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6+
InChIKeyDKBNVGOWHNOALZ-VOTSOKGWSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds2

About methyl (E)-3-cyclopentylprop-2-enoate

methyl (E)-3-cyclopentylprop-2-enoate (PubChem CID 10511074) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl (E)-3-cyclopentylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-cyclopentylprop-2-enoate
PubChem CID10511074
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl (E)-3-cyclopentylprop-2-enoate
SMILESCOC(=O)/C=C/C1CCCC1
InChIInChI=1S/C9H14O2/c1-11-9(10)7-6-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6+
InChIKeyDKBNVGOWHNOALZ-VOTSOKGWSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 methyl (E)-3-cyclopentylprop-2-enoate?
The IUPAC name of methyl (E)-3-cyclopentylprop-2-enoate (CID 10511074) is methyl (E)-3-cyclopentylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-cyclopentylprop-2-enoate?
The canonical SMILES for methyl (E)-3-cyclopentylprop-2-enoate is COC(=O)/C=C/C1CCCC1.
What is the InChIKey of methyl (E)-3-cyclopentylprop-2-enoate?
The InChIKey is DKBNVGOWHNOALZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9(10)7-6-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6+.
What are the key properties of methyl (E)-3-cyclopentylprop-2-enoate?
methyl (E)-3-cyclopentylprop-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-cyclopentylprop-2-enoate is sourced from PubChem (CID 10511074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).