2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid

C11H16O3 — CID 10535877

IUPAC2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid
SMILESCCCC1CC(C)=C(CC(=O)O)C1=O
InChIInChI=1S/C11H16O3/c1-3-4-8-5-7(2)9(11(8)14)6-10(12)13/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyJJWHZIKLOWMYRF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid

2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid (PubChem CID 10535877) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid
PubChem CID10535877
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid
SMILESCCCC1CC(C)=C(CC(=O)O)C1=O
InChIInChI=1S/C11H16O3/c1-3-4-8-5-7(2)9(11(8)14)6-10(12)13/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyJJWHZIKLOWMYRF-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid?
The IUPAC name of 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid (CID 10535877) is 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid is CCCC1CC(C)=C(CC(=O)O)C1=O.
What is the InChIKey of 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid?
The InChIKey is JJWHZIKLOWMYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-4-8-5-7(2)9(11(8)14)6-10(12)13/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid?
2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid has a molecular weight of 196.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid is sourced from PubChem (CID 10535877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).