prop-2-enyl (E)-3-cyclopentylprop-2-enoate

C11H16O2 — CID 11687001

IUPACprop-2-enyl (E)-3-cyclopentylprop-2-enoate
SMILESC=CCOC(=O)/C=C/C1CCCC1
InChIInChI=1S/C11H16O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h2,7-8,10H,1,3-6,9H2/b8-7+
InChIKeyPNTJBOZCLBCJME-BQYQJAHWSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds4

About prop-2-enyl (E)-3-cyclopentylprop-2-enoate

prop-2-enyl (E)-3-cyclopentylprop-2-enoate (PubChem CID 11687001) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is prop-2-enyl (E)-3-cyclopentylprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-3-cyclopentylprop-2-enoate
PubChem CID11687001
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameprop-2-enyl (E)-3-cyclopentylprop-2-enoate
SMILESC=CCOC(=O)/C=C/C1CCCC1
InChIInChI=1S/C11H16O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h2,7-8,10H,1,3-6,9H2/b8-7+
InChIKeyPNTJBOZCLBCJME-BQYQJAHWSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propyl (E)-3-cyclopentylprop-2-enoate
CID 10679014
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
4-O-amino 1-O-prop-2-enyl (Z)-but-2-enedioate
CID 88748858
amino 3-cyclopropylprop-2-enoate
CID 174359993
3-cyclohexylprop-2-enamide
CID 54292987
prop-2-enyl (Z)-3-bromoprop-2-enoate
CID 14906233
prop-2-enyl cyclododecanecarboxylate
CID 139624721

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E)-3-cyclopentylprop-2-enoate?
The IUPAC name of prop-2-enyl (E)-3-cyclopentylprop-2-enoate (CID 11687001) is prop-2-enyl (E)-3-cyclopentylprop-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-3-cyclopentylprop-2-enoate?
The canonical SMILES for prop-2-enyl (E)-3-cyclopentylprop-2-enoate is C=CCOC(=O)/C=C/C1CCCC1.
What is the InChIKey of prop-2-enyl (E)-3-cyclopentylprop-2-enoate?
The InChIKey is PNTJBOZCLBCJME-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h2,7-8,10H,1,3-6,9H2/b8-7+.
What are the key properties of prop-2-enyl (E)-3-cyclopentylprop-2-enoate?
prop-2-enyl (E)-3-cyclopentylprop-2-enoate has a molecular weight of 180.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-3-cyclopentylprop-2-enoate is sourced from PubChem (CID 11687001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).