1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone

C13H18N2O2 — CID 82377261

IUPAC1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone
SMILESCC(=O)N1CC2(CCCCC2)Nc2cocc21
InChIInChI=1S/C13H18N2O2/c1-10(16)15-9-13(5-3-2-4-6-13)14-11-7-17-8-12(11)15/h7-8,14H,2-6,9H2,1H3
InChIKeyCPFJOBBFKMIIOQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.76
Rot. Bonds

About 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone

1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone (PubChem CID 82377261) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone.

Molecular Properties

Compound Name1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone
PubChem CID82377261
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone
SMILESCC(=O)N1CC2(CCCCC2)Nc2cocc21
InChIInChI=1S/C13H18N2O2/c1-10(16)15-9-13(5-3-2-4-6-13)14-11-7-17-8-12(11)15/h7-8,14H,2-6,9H2,1H3
InChIKeyCPFJOBBFKMIIOQ-UHFFFAOYSA-N
XLogP2.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 92546001
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one
CID 82375663
7-amino-1',4-dimethylspiro[1H-furo[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375664
5-Amino-2-cyclohexyl-1-methyl-2,4-dihydrofuro[3,4-b]pyrazin-3-one
CID 82375668
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375670
Spiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclopropane]-2-one
CID 82375677
1'-Acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375678
2-cyclopropyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376827
2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376829
2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376830
2-(morpholin-4-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376831
3-Cyclopropyl-1,2,3,4-tetrahydrofuro[3,4-b]pyrazine
CID 82377051

Frequently Asked Questions

What is the IUPAC name of 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone?
The IUPAC name of 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone (CID 82377261) is 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone.
What is the SMILES notation for 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone?
The canonical SMILES for 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone is CC(=O)N1CC2(CCCCC2)Nc2cocc21.
What is the InChIKey of 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone?
The InChIKey is CPFJOBBFKMIIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)15-9-13(5-3-2-4-6-13)14-11-7-17-8-12(11)15/h7-8,14H,2-6,9H2,1H3.
What are the key properties of 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone?
1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[2,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-1-ylethanone is sourced from PubChem (CID 82377261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).