(1-ethenylcyclopentyl) propanoate

C10H16O2 — CID 146487266

IUPAC(1-ethenylcyclopentyl) propanoate
SMILESC=CC1(OC(=O)CC)CCCC1
InChIInChI=1S/C10H16O2/c1-3-9(11)12-10(4-2)7-5-6-8-10/h4H,2-3,5-8H2,1H3
InChIKeyDRTMPKYDWYBACH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds3

About (1-ethenylcyclopentyl) propanoate

(1-ethenylcyclopentyl) propanoate (PubChem CID 146487266) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-ethenylcyclopentyl) propanoate.

Molecular Properties

Compound Name(1-ethenylcyclopentyl) propanoate
PubChem CID146487266
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1-ethenylcyclopentyl) propanoate
SMILESC=CC1(OC(=O)CC)CCCC1
InChIInChI=1S/C10H16O2/c1-3-9(11)12-10(4-2)7-5-6-8-10/h4H,2-3,5-8H2,1H3
InChIKeyDRTMPKYDWYBACH-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethenylcyclopentyl) propanoate?
The IUPAC name of (1-ethenylcyclopentyl) propanoate (CID 146487266) is (1-ethenylcyclopentyl) propanoate.
What is the SMILES notation for (1-ethenylcyclopentyl) propanoate?
The canonical SMILES for (1-ethenylcyclopentyl) propanoate is C=CC1(OC(=O)CC)CCCC1.
What is the InChIKey of (1-ethenylcyclopentyl) propanoate?
The InChIKey is DRTMPKYDWYBACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9(11)12-10(4-2)7-5-6-8-10/h4H,2-3,5-8H2,1H3.
What are the key properties of (1-ethenylcyclopentyl) propanoate?
(1-ethenylcyclopentyl) propanoate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylcyclopentyl) propanoate is sourced from PubChem (CID 146487266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).