2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid

C14H15NO3 — CID 4715429

IUPAC2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1C(=O)N(C1CCCC1)C2
InChIInChI=1S/C14H15NO3/c16-13-12-9(4-3-7-11(12)14(17)18)8-15(13)10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H,17,18)
InChIKeyKLAMZNJTPDLNDX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.28
Rot. Bonds2

About 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid

2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid (PubChem CID 4715429) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid
PubChem CID4715429
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1C(=O)N(C1CCCC1)C2
InChIInChI=1S/C14H15NO3/c16-13-12-9(4-3-7-11(12)14(17)18)8-15(13)10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H,17,18)
InChIKeyKLAMZNJTPDLNDX-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid (CID 4715429) is 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid is O=C(O)c1cccc2c1C(=O)N(C1CCCC1)C2.
What is the InChIKey of 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid?
The InChIKey is KLAMZNJTPDLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13-12-9(4-3-7-11(12)14(17)18)8-15(13)10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid?
2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid is sourced from PubChem (CID 4715429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).