3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid

C15H18N2O3 — CID 115544027

IUPAC3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
SMILESO=C(O)c1cccc2c1NC(=O)C1(CCCCCC1)N2
InChIInChI=1S/C15H18N2O3/c18-13(19)10-6-5-7-11-12(10)16-14(20)15(17-11)8-3-1-2-4-9-15/h5-7,17H,1-4,8-9H2,(H,16,20)(H,18,19)
InChIKeyFUNHWSXJHQCAHI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.84
Rot. Bonds1

About 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid

3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid (PubChem CID 115544027) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid.

Molecular Properties

Compound Name3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
PubChem CID115544027
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
SMILESO=C(O)c1cccc2c1NC(=O)C1(CCCCCC1)N2
InChIInChI=1S/C15H18N2O3/c18-13(19)10-6-5-7-11-12(10)16-14(20)15(17-11)8-3-1-2-4-9-15/h5-7,17H,1-4,8-9H2,(H,16,20)(H,18,19)
InChIKeyFUNHWSXJHQCAHI-UHFFFAOYSA-N
XLogP2.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid?
The IUPAC name of 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid (CID 115544027) is 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid.
What is the SMILES notation for 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid?
The canonical SMILES for 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid is O=C(O)c1cccc2c1NC(=O)C1(CCCCCC1)N2.
What is the InChIKey of 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid?
The InChIKey is FUNHWSXJHQCAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13(19)10-6-5-7-11-12(10)16-14(20)15(17-11)8-3-1-2-4-9-15/h5-7,17H,1-4,8-9H2,(H,16,20)(H,18,19).
What are the key properties of 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid?
3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid is sourced from PubChem (CID 115544027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).