2-cyclopenta[c]pyran-1-ylacetic acid

C10H8O3 — CID 69076620

IUPAC2-cyclopenta[c]pyran-1-ylacetic acid
SMILESO=C(O)Cc1occc2cccc1-2
InChIInChI=1S/C10H8O3/c11-10(12)6-9-8-3-1-2-7(8)4-5-13-9/h1-5H,6H2,(H,11,12)
InChIKeyNBVNLJCSDNSGEY-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.01
Rot. Bonds2

About 2-cyclopenta[c]pyran-1-ylacetic acid

2-cyclopenta[c]pyran-1-ylacetic acid (PubChem CID 69076620) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-cyclopenta[c]pyran-1-ylacetic acid.

Molecular Properties

Compound Name2-cyclopenta[c]pyran-1-ylacetic acid
PubChem CID69076620
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name2-cyclopenta[c]pyran-1-ylacetic acid
SMILESO=C(O)Cc1occc2cccc1-2
InChIInChI=1S/C10H8O3/c11-10(12)6-9-8-3-1-2-7(8)4-5-13-9/h1-5H,6H2,(H,11,12)
InChIKeyNBVNLJCSDNSGEY-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[c]pyran-1-ylacetic acid?
The IUPAC name of 2-cyclopenta[c]pyran-1-ylacetic acid (CID 69076620) is 2-cyclopenta[c]pyran-1-ylacetic acid.
What is the SMILES notation for 2-cyclopenta[c]pyran-1-ylacetic acid?
The canonical SMILES for 2-cyclopenta[c]pyran-1-ylacetic acid is O=C(O)Cc1occc2cccc1-2.
What is the InChIKey of 2-cyclopenta[c]pyran-1-ylacetic acid?
The InChIKey is NBVNLJCSDNSGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-10(12)6-9-8-3-1-2-7(8)4-5-13-9/h1-5H,6H2,(H,11,12).
What are the key properties of 2-cyclopenta[c]pyran-1-ylacetic acid?
2-cyclopenta[c]pyran-1-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[c]pyran-1-ylacetic acid is sourced from PubChem (CID 69076620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).