5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid

C10H10O3 — CID 177393407

IUPAC5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)C1=C=CC=C1
InChIInChI=1S/C10H10O3/c11-9(6-3-7-10(12)13)8-4-1-2-5-8/h1-2,4H,3,6-7H2,(H,12,13)
InChIKeyNDKUBDQARIHUII-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.46
Rot. Bonds5

About 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid

5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid (PubChem CID 177393407) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid
PubChem CID177393407
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)C1=C=CC=C1
InChIInChI=1S/C10H10O3/c11-9(6-3-7-10(12)13)8-4-1-2-5-8/h1-2,4H,3,6-7H2,(H,12,13)
InChIKeyNDKUBDQARIHUII-UHFFFAOYSA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-cyclopenta-1,2,4-trien-1-ylbutan-1-one
CID 177466572
6-(cyclopenta-1,2,4-trien-1-ylamino)hexanoic acid
CID 177435789
1,2-dioxine;pentanedioic acid
CID 175547482
erbium;pentanedioic acid
CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
pentanedioic acid;stibane
CID 173344083
CID 87067075
CID 87067075
5-(4-hydroxyphenyl)-5-oxopentanoic acid
CID 58253057
gold;heptanedioic acid
CID 174896169
5-oxo-5-(2,4,5-trimethylphenyl)pentanoic acid
CID 24727183
5-(2-aminophenyl)-5-oxopentanoic acid
CID 14382100
5-oxo-5-(3,4,5-trichlorophenyl)pentanoic acid
CID 24727152

Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid?
The IUPAC name of 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid (CID 177393407) is 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid.
What is the SMILES notation for 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid?
The canonical SMILES for 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid is O=C(O)CCCC(=O)C1=C=CC=C1.
What is the InChIKey of 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid?
The InChIKey is NDKUBDQARIHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-9(6-3-7-10(12)13)8-4-1-2-5-8/h1-2,4H,3,6-7H2,(H,12,13).
What are the key properties of 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid?
5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-1,2,4-trien-1-yl-5-oxopentanoic acid is sourced from PubChem (CID 177393407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).