1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid

C14H15NO3 — CID 155935307

IUPAC1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid
SMILESO=C1NC2(CCCC2)C(C(=O)O)c2ccccc21
InChIInChI=1S/C14H15NO3/c16-12-10-6-2-1-5-9(10)11(13(17)18)14(15-12)7-3-4-8-14/h1-2,5-6,11H,3-4,7-8H2,(H,15,16)(H,17,18)
InChIKeyNZJOUNYWEZTKOI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.91
Rot. Bonds1

About 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid

1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid (PubChem CID 155935307) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid.

Molecular Properties

Compound Name1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid
PubChem CID155935307
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid
SMILESO=C1NC2(CCCC2)C(C(=O)O)c2ccccc21
InChIInChI=1S/C14H15NO3/c16-12-10-6-2-1-5-9(10)11(13(17)18)14(15-12)7-3-4-8-14/h1-2,5-6,11H,3-4,7-8H2,(H,15,16)(H,17,18)
InChIKeyNZJOUNYWEZTKOI-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid?
The IUPAC name of 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid (CID 155935307) is 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid.
What is the SMILES notation for 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid?
The canonical SMILES for 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid is O=C1NC2(CCCC2)C(C(=O)O)c2ccccc21.
What is the InChIKey of 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid?
The InChIKey is NZJOUNYWEZTKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12-10-6-2-1-5-9(10)11(13(17)18)14(15-12)7-3-4-8-14/h1-2,5-6,11H,3-4,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid?
1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-4-carboxylic acid is sourced from PubChem (CID 155935307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).