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

C11H10N2O3 — CID 112577491

IUPAC2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid
SMILESO=C(O)c1cccc2c1NC1(CC1)C(=O)N2
InChIInChI=1S/C11H10N2O3/c14-9(15)6-2-1-3-7-8(6)13-11(4-5-11)10(16)12-7/h1-3,13H,4-5H2,(H,12,16)(H,14,15)
InChIKeyAXRHWYYJCDHSFJ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.28
Rot. Bonds1

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

2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid (PubChem CID 112577491) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid.

Molecular Properties

Compound Name2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid
PubChem CID112577491
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid
SMILESO=C(O)c1cccc2c1NC1(CC1)C(=O)N2
InChIInChI=1S/C11H10N2O3/c14-9(15)6-2-1-3-7-8(6)13-11(4-5-11)10(16)12-7/h1-3,13H,4-5H2,(H,12,16)(H,14,15)
InChIKeyAXRHWYYJCDHSFJ-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
CID 115544027
3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid
CID 112577462
3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
CID 115095893
4-cyclopropyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 112577525
1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768593
4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid
CID 83822997
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
3,3,4-trimethyl-2-oxo-1H-quinoxaline-5-carboxylic acid
CID 112577474
3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid
CID 81167355
2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclobutane]-6-carboxylic acid
CID 82791107
2-(2-carboxyethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
CID 115544023
4-oxo-3-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 113332352

Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid?
The IUPAC name of 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid (CID 112577491) is 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid.
What is the SMILES notation for 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid?
The canonical SMILES for 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid is O=C(O)c1cccc2c1NC1(CC1)C(=O)N2.
What is the InChIKey of 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid?
The InChIKey is AXRHWYYJCDHSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-9(15)6-2-1-3-7-8(6)13-11(4-5-11)10(16)12-7/h1-3,13H,4-5H2,(H,12,16)(H,14,15).
What are the key properties of 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid?
2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid is sourced from PubChem (CID 112577491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).