3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one

C12H20O2 — CID 25190958

IUPAC3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
SMILESCC/C=C\CC1C(=O)CCC1CCO
InChIInChI=1S/C12H20O2/c1-2-3-4-5-11-10(8-9-13)6-7-12(11)14/h3-4,10-11,13H,2,5-9H2,1H3/b4-3-
InChIKeyGHSCIHSQJDYNHB-ARJAWSKDSA-N
MW196.29 g/mol
LogP2.32
Rot. Bonds5

About 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one

3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one (PubChem CID 25190958) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
PubChem CID25190958
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
SMILESCC/C=C\CC1C(=O)CCC1CCO
InChIInChI=1S/C12H20O2/c1-2-3-4-5-11-10(8-9-13)6-7-12(11)14/h3-4,10-11,13H,2,5-9H2,1H3/b4-3-
InChIKeyGHSCIHSQJDYNHB-ARJAWSKDSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
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 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one (CID 25190958) is 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one is CC/C=C\CC1C(=O)CCC1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one?
The InChIKey is GHSCIHSQJDYNHB-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-11-10(8-9-13)6-7-12(11)14/h3-4,10-11,13H,2,5-9H2,1H3/b4-3-.
What are the key properties of 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one?
3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 25190958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).