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

C9H14O2 — CID 59856270

IUPAC5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one
SMILESCCCC1=C(C)CC(O)C1=O
InChIInChI=1S/C9H14O2/c1-3-4-7-6(2)5-8(10)9(7)11/h8,10H,3-5H2,1-2H3
InChIKeyNMPSDHNQPJPWOL-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds2

About 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one

5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one (PubChem CID 59856270) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one
PubChem CID59856270
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one
SMILESCCCC1=C(C)CC(O)C1=O
InChIInChI=1S/C9H14O2/c1-3-4-7-6(2)5-8(10)9(7)11/h8,10H,3-5H2,1-2H3
InChIKeyNMPSDHNQPJPWOL-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 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one (CID 59856270) is 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one is CCCC1=C(C)CC(O)C1=O.
What is the InChIKey of 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one?
The InChIKey is NMPSDHNQPJPWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-7-6(2)5-8(10)9(7)11/h8,10H,3-5H2,1-2H3.
What are the key properties of 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one?
5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one 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 5-hydroxy-3-methyl-2-propylcyclopent-2-en-1-one is sourced from PubChem (CID 59856270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).