cyclopenta[b]pyran-2-carboxylic acid

C9H6O3 — CID 141029031

IUPACcyclopenta[b]pyran-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc-2o1
InChIInChI=1S/C9H6O3/c10-9(11)8-5-4-6-2-1-3-7(6)12-8/h1-5H,(H,10,11)
InChIKeyMLMUOHQKRNXPEH-UHFFFAOYSA-N
MW162.14 g/mol
LogP2.08
Rot. Bonds1

About cyclopenta[b]pyran-2-carboxylic acid

cyclopenta[b]pyran-2-carboxylic acid (PubChem CID 141029031) has the molecular formula C9H6O3 and a molecular weight of 162.14 g/mol. Its IUPAC name is cyclopenta[b]pyran-2-carboxylic acid.

Molecular Properties

Compound Namecyclopenta[b]pyran-2-carboxylic acid
PubChem CID141029031
Molecular FormulaC9H6O3
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Namecyclopenta[b]pyran-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc-2o1
InChIInChI=1S/C9H6O3/c10-9(11)8-5-4-6-2-1-3-7(6)12-8/h1-5H,(H,10,11)
InChIKeyMLMUOHQKRNXPEH-UHFFFAOYSA-N
XLogP2.08
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-nitrosophenyl)furan-2-carboxylic acid
CID 144711483
5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
CID 152990404
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[4-(2-methylbutan-2-yl)phenyl]furan-2-carboxylic acid
CID 66257827
5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid
CID 68831033
5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid
CID 173162831
5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 169454193
5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
CID 63423966
5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid
CID 57339526
1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331
2-cyclopenta[b]pyran-2-ylacetic acid
CID 57367990
5-[4-(1,2,3-trihydroxypropyl)phenyl]furan-2-carboxylic acid
CID 170818849

Frequently Asked Questions

What is the IUPAC name of cyclopenta[b]pyran-2-carboxylic acid?
The IUPAC name of cyclopenta[b]pyran-2-carboxylic acid (CID 141029031) is cyclopenta[b]pyran-2-carboxylic acid.
What is the SMILES notation for cyclopenta[b]pyran-2-carboxylic acid?
The canonical SMILES for cyclopenta[b]pyran-2-carboxylic acid is O=C(O)c1ccc2cccc-2o1.
What is the InChIKey of cyclopenta[b]pyran-2-carboxylic acid?
The InChIKey is MLMUOHQKRNXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3/c10-9(11)8-5-4-6-2-1-3-7(6)12-8/h1-5H,(H,10,11).
What are the key properties of cyclopenta[b]pyran-2-carboxylic acid?
cyclopenta[b]pyran-2-carboxylic acid has a molecular weight of 162.14 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]pyran-2-carboxylic acid is sourced from PubChem (CID 141029031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).