3-cyclopenta-2,4-dien-1-ylidenepentanoic acid

C10H12O2 — CID 102282819

IUPAC3-cyclopenta-2,4-dien-1-ylidenepentanoic acid
SMILESCCC(CC(=O)O)=C1C=CC=C1
InChIInChI=1S/C10H12O2/c1-2-8(7-10(11)12)9-5-3-4-6-9/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyQYFPINVVFQUOKL-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.29
Rot. Bonds3

About 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid

3-cyclopenta-2,4-dien-1-ylidenepentanoic acid (PubChem CID 102282819) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylidenepentanoic acid
PubChem CID102282819
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-cyclopenta-2,4-dien-1-ylidenepentanoic acid
SMILESCCC(CC(=O)O)=C1C=CC=C1
InChIInChI=1S/C10H12O2/c1-2-8(7-10(11)12)9-5-3-4-6-9/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyQYFPINVVFQUOKL-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid (CID 102282819) is 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid is CCC(CC(=O)O)=C1C=CC=C1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid?
The InChIKey is QYFPINVVFQUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8(7-10(11)12)9-5-3-4-6-9/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid?
3-cyclopenta-2,4-dien-1-ylidenepentanoic acid has a molecular weight of 164.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylidenepentanoic acid is sourced from PubChem (CID 102282819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).