cyclopentylidenemethyl propanoate

C9H14O2 — CID 170931666

IUPACcyclopentylidenemethyl propanoate
SMILESCCC(=O)OC=C1CCCC1
InChIInChI=1S/C9H14O2/c1-2-9(10)11-7-8-5-3-4-6-8/h7H,2-6H2,1H3
InChIKeyFMVWWHJCIIDOIP-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.40
Rot. Bonds2

About cyclopentylidenemethyl propanoate

cyclopentylidenemethyl propanoate (PubChem CID 170931666) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is cyclopentylidenemethyl propanoate.

Molecular Properties

Compound Namecyclopentylidenemethyl propanoate
PubChem CID170931666
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namecyclopentylidenemethyl propanoate
SMILESCCC(=O)OC=C1CCCC1
InChIInChI=1S/C9H14O2/c1-2-9(10)11-7-8-5-3-4-6-8/h7H,2-6H2,1H3
InChIKeyFMVWWHJCIIDOIP-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentylidenemethyl propanoate?
The IUPAC name of cyclopentylidenemethyl propanoate (CID 170931666) is cyclopentylidenemethyl propanoate.
What is the SMILES notation for cyclopentylidenemethyl propanoate?
The canonical SMILES for cyclopentylidenemethyl propanoate is CCC(=O)OC=C1CCCC1.
What is the InChIKey of cyclopentylidenemethyl propanoate?
The InChIKey is FMVWWHJCIIDOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-9(10)11-7-8-5-3-4-6-8/h7H,2-6H2,1H3.
What are the key properties of cyclopentylidenemethyl propanoate?
cyclopentylidenemethyl propanoate has a molecular weight of 154.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylidenemethyl propanoate is sourced from PubChem (CID 170931666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).