5-(5-oxocyclopenten-1-yl)pentanoic acid

C10H14O3 — CID 12877564

IUPAC5-(5-oxocyclopenten-1-yl)pentanoic acid
SMILESO=C(O)CCCCC1=CCCC1=O
InChIInChI=1S/C10H14O3/c11-9-6-3-5-8(9)4-1-2-7-10(12)13/h5H,1-4,6-7H2,(H,12,13)
InChIKeyVEOACKUXHPBABJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.92
Rot. Bonds5

About 5-(5-oxocyclopenten-1-yl)pentanoic acid

5-(5-oxocyclopenten-1-yl)pentanoic acid (PubChem CID 12877564) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(5-oxocyclopenten-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-oxocyclopenten-1-yl)pentanoic acid
PubChem CID12877564
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-(5-oxocyclopenten-1-yl)pentanoic acid
SMILESO=C(O)CCCCC1=CCCC1=O
InChIInChI=1S/C10H14O3/c11-9-6-3-5-8(9)4-1-2-7-10(12)13/h5H,1-4,6-7H2,(H,12,13)
InChIKeyVEOACKUXHPBABJ-UHFFFAOYSA-N
XLogP1.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexene-1-acetic acid
CID 86699
(10e)-9-Oxohexadec-10-enoic acid
CID 24801247
(7e)-9-Oxohexadec-7-enoic acid
CID 75201659
Cyclohept-1-ene-1-carboxylic acid
CID 12512566
(E)-9-oxooctadec-10-enoic Acid
CID 6443258
11-(Cyclopenten-1-yl)-11-oxo-undecanoic acid
CID 46214743
Alutacenoic acid A
CID 11819412
9-octadecenoic acid, 8-oxo-, (9E)-
CID 637456
1-Cyclopentene-1-acetic acid
CID 88975
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid
CID 5373082
8-(3-Oxocycloprop-1-en-1-yl)octanoic acid
CID 9815550
5-Oxo-1-cyclopentene-1-heptanoic acid
CID 78902

Frequently Asked Questions

What is the IUPAC name of 5-(5-oxocyclopenten-1-yl)pentanoic acid?
The IUPAC name of 5-(5-oxocyclopenten-1-yl)pentanoic acid (CID 12877564) is 5-(5-oxocyclopenten-1-yl)pentanoic acid.
What is the SMILES notation for 5-(5-oxocyclopenten-1-yl)pentanoic acid?
The canonical SMILES for 5-(5-oxocyclopenten-1-yl)pentanoic acid is O=C(O)CCCCC1=CCCC1=O.
What is the InChIKey of 5-(5-oxocyclopenten-1-yl)pentanoic acid?
The InChIKey is VEOACKUXHPBABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-6-3-5-8(9)4-1-2-7-10(12)13/h5H,1-4,6-7H2,(H,12,13).
What are the key properties of 5-(5-oxocyclopenten-1-yl)pentanoic acid?
5-(5-oxocyclopenten-1-yl)pentanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxocyclopenten-1-yl)pentanoic acid is sourced from PubChem (CID 12877564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).