2-cyclopenta[b]pyran-2-ylacetic acid

C10H8O3 — CID 57367990

IUPAC2-cyclopenta[b]pyran-2-ylacetic acid
SMILESO=C(O)Cc1ccc2cccc-2o1
InChIInChI=1S/C10H8O3/c11-10(12)6-8-5-4-7-2-1-3-9(7)13-8/h1-5H,6H2,(H,11,12)
InChIKeyPBGKTSKYUHBZQM-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.01
Rot. Bonds2

About 2-cyclopenta[b]pyran-2-ylacetic acid

2-cyclopenta[b]pyran-2-ylacetic acid (PubChem CID 57367990) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-cyclopenta[b]pyran-2-ylacetic acid.

Molecular Properties

Compound Name2-cyclopenta[b]pyran-2-ylacetic acid
PubChem CID57367990
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name2-cyclopenta[b]pyran-2-ylacetic acid
SMILESO=C(O)Cc1ccc2cccc-2o1
InChIInChI=1S/C10H8O3/c11-10(12)6-8-5-4-7-2-1-3-9(7)13-8/h1-5H,6H2,(H,11,12)
InChIKeyPBGKTSKYUHBZQM-UHFFFAOYSA-N
XLogP2.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta[b]pyran-2-ylacetic acid?
The IUPAC name of 2-cyclopenta[b]pyran-2-ylacetic acid (CID 57367990) is 2-cyclopenta[b]pyran-2-ylacetic acid.
What is the SMILES notation for 2-cyclopenta[b]pyran-2-ylacetic acid?
The canonical SMILES for 2-cyclopenta[b]pyran-2-ylacetic acid is O=C(O)Cc1ccc2cccc-2o1.
What is the InChIKey of 2-cyclopenta[b]pyran-2-ylacetic acid?
The InChIKey is PBGKTSKYUHBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-10(12)6-8-5-4-7-2-1-3-9(7)13-8/h1-5H,6H2,(H,11,12).
What are the key properties of 2-cyclopenta[b]pyran-2-ylacetic acid?
2-cyclopenta[b]pyran-2-ylacetic acid has a molecular weight of 176.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta[b]pyran-2-ylacetic acid is sourced from PubChem (CID 57367990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).