1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone

C13H16N2O3 — CID 97472729

IUPAC1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)c3ccoc3)C2)C1
InChIInChI=1S/C13H16N2O3/c1-10(16)15-8-13(9-15)3-4-14(7-13)12(17)11-2-5-18-6-11/h2,5-6H,3-4,7-9H2,1H3
InChIKeyPRLSYNZDHVKPSF-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.97
Rot. Bonds1

About 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone

1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone (PubChem CID 97472729) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
PubChem CID97472729
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)c3ccoc3)C2)C1
InChIInChI=1S/C13H16N2O3/c1-10(16)15-8-13(9-15)3-4-14(7-13)12(17)11-2-5-18-6-11/h2,5-6H,3-4,7-9H2,1H3
InChIKeyPRLSYNZDHVKPSF-UHFFFAOYSA-N
XLogP0.97
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-[2-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472726
(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 97374104
furan-3-yl-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838373
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
2-(3-fluorophenyl)-7-(furan-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131642152
1-[8-(furan-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922112
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97370696
furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063

Frequently Asked Questions

What is the IUPAC name of 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone (CID 97472729) is 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone is CC(=O)N1CC2(CCN(C(=O)c3ccoc3)C2)C1.
What is the InChIKey of 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is PRLSYNZDHVKPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10(16)15-8-13(9-15)3-4-14(7-13)12(17)11-2-5-18-6-11/h2,5-6H,3-4,7-9H2,1H3.
What are the key properties of 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone?
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 248.28 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 97472729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).