3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid

C15H18N2O3 — CID 82790417

IUPAC3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid
SMILESCC1CCCC2(C1)Nc1cc(C(=O)O)ccc1NC2=O
InChIInChI=1S/C15H18N2O3/c1-9-3-2-6-15(8-9)14(20)16-11-5-4-10(13(18)19)7-12(11)17-15/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyCKKVZJLQBROYDW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.70
Rot. Bonds1

About 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid

3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid (PubChem CID 82790417) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid.

Molecular Properties

Compound Name3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid
PubChem CID82790417
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid
SMILESCC1CCCC2(C1)Nc1cc(C(=O)O)ccc1NC2=O
InChIInChI=1S/C15H18N2O3/c1-9-3-2-6-15(8-9)14(20)16-11-5-4-10(13(18)19)7-12(11)17-15/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyCKKVZJLQBROYDW-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid?
The IUPAC name of 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid (CID 82790417) is 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid.
What is the SMILES notation for 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid?
The canonical SMILES for 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid is CC1CCCC2(C1)Nc1cc(C(=O)O)ccc1NC2=O.
What is the InChIKey of 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid?
The InChIKey is CKKVZJLQBROYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-3-2-6-15(8-9)14(20)16-11-5-4-10(13(18)19)7-12(11)17-15/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid?
3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid is sourced from PubChem (CID 82790417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).