2-hydroxy-3-propylcyclopent-2-en-1-one

C8H12O2 — CID 520224

IUPAC2-hydroxy-3-propylcyclopent-2-en-1-one
SMILESCCCC1=C(O)C(=O)CC1
InChIInChI=1S/C8H12O2/c1-2-3-6-4-5-7(9)8(6)10/h10H,2-5H2,1H3
InChIKeyXAXYCXCTGDUBNW-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.96
Rot. Bonds2

About 2-hydroxy-3-propylcyclopent-2-en-1-one

2-hydroxy-3-propylcyclopent-2-en-1-one (PubChem CID 520224) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-hydroxy-3-propylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3-propylcyclopent-2-en-1-one
PubChem CID520224
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-hydroxy-3-propylcyclopent-2-en-1-one
SMILESCCCC1=C(O)C(=O)CC1
InChIInChI=1S/C8H12O2/c1-2-3-6-4-5-7(9)8(6)10/h10H,2-5H2,1H3
InChIKeyXAXYCXCTGDUBNW-UHFFFAOYSA-N
XLogP1.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-propylcyclopent-2-en-1-one?
The IUPAC name of 2-hydroxy-3-propylcyclopent-2-en-1-one (CID 520224) is 2-hydroxy-3-propylcyclopent-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3-propylcyclopent-2-en-1-one?
The canonical SMILES for 2-hydroxy-3-propylcyclopent-2-en-1-one is CCCC1=C(O)C(=O)CC1.
What is the InChIKey of 2-hydroxy-3-propylcyclopent-2-en-1-one?
The InChIKey is XAXYCXCTGDUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-6-4-5-7(9)8(6)10/h10H,2-5H2,1H3.
What are the key properties of 2-hydroxy-3-propylcyclopent-2-en-1-one?
2-hydroxy-3-propylcyclopent-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-propylcyclopent-2-en-1-one is sourced from PubChem (CID 520224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).