4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid

C12H14N2O4 — CID 82376922

IUPAC4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid
SMILESCC(=O)N1c2coc(C(=O)O)c2N(C)CC12CC2
InChIInChI=1S/C12H14N2O4/c1-7(15)14-8-5-18-10(11(16)17)9(8)13(2)6-12(14)3-4-12/h5H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyZRLNWHIBQXFMOK-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.31
Rot. Bonds1

About 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid

4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid (PubChem CID 82376922) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid
PubChem CID82376922
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid
SMILESCC(=O)N1c2coc(C(=O)O)c2N(C)CC12CC2
InChIInChI=1S/C12H14N2O4/c1-7(15)14-8-5-18-10(11(16)17)9(8)13(2)6-12(14)3-4-12/h5H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyZRLNWHIBQXFMOK-UHFFFAOYSA-N
XLogP1.31
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82376950
3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376894
7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid
CID 171788045
1-[4-(2-amino-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110850382
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone
CID 176675160
CID 171818916
CID 171818916
1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid
CID 82377641
1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412788
1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
CID 166543592
3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103356684
2-[3-(furan-2-yl)-1-methylpyrrolidin-3-yl]acetic acid
CID 83820589

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid?
The IUPAC name of 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid (CID 82376922) is 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid.
What is the SMILES notation for 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid?
The canonical SMILES for 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid is CC(=O)N1c2coc(C(=O)O)c2N(C)CC12CC2.
What is the InChIKey of 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid?
The InChIKey is ZRLNWHIBQXFMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(15)14-8-5-18-10(11(16)17)9(8)13(2)6-12(14)3-4-12/h5H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid?
4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid is sourced from PubChem (CID 82376922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).