1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone

C9H14O2 — CID 163608586

IUPAC1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=C(C(C)O)CCC1
InChIInChI=1S/C9H14O2/c1-6(10)8-4-3-5-9(8)7(2)11/h6,10H,3-5H2,1-2H3
InChIKeyHDYNIZIUPFOLEP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds2

About 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone

1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone (PubChem CID 163608586) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone
PubChem CID163608586
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=C(C(C)O)CCC1
InChIInChI=1S/C9H14O2/c1-6(10)8-4-3-5-9(8)7(2)11/h6,10H,3-5H2,1-2H3
InChIKeyHDYNIZIUPFOLEP-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone?
The IUPAC name of 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone (CID 163608586) is 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone is CC(=O)C1=C(C(C)O)CCC1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone?
The InChIKey is HDYNIZIUPFOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(10)8-4-3-5-9(8)7(2)11/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone?
1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)cyclopenten-1-yl]ethanone is sourced from PubChem (CID 163608586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).