4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane

C17H24N2O — CID 64954431

IUPAC4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane
SMILESc1ccc2c(c1)OCC2N1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H24N2O/c1-4-8-17(9-5-1)13-19(11-10-18-17)15-12-20-16-7-3-2-6-14(15)16/h2-3,6-7,15,18H,1,4-5,8-13H2
InChIKeyMJYHVTZMDCCMOH-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.73
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane

4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64954431) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID64954431
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane
SMILESc1ccc2c(c1)OCC2N1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H24N2O/c1-4-8-17(9-5-1)13-19(11-10-18-17)15-12-20-16-7-3-2-6-14(15)16/h2-3,6-7,15,18H,1,4-5,8-13H2
InChIKeyMJYHVTZMDCCMOH-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazaspiro[5.5]undecane
CID 64952967
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
8-(oxetan-3-yl)-5,8-diazaspiro[3.5]nonane
CID 166543631
spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]
CID 62517000
10-(2,3-dihydro-1H-inden-2-yl)-6,10-diazaspiro[4.6]undecane
CID 107854029
4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 79215323
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
CID 54425684
4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane
CID 103892749
11-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7,11-diazaspiro[5.6]dodecane
CID 64945031
1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115948392
10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64951147

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane (CID 64954431) is 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane is c1ccc2c(c1)OCC2N1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is MJYHVTZMDCCMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-8-17(9-5-1)13-19(11-10-18-17)15-12-20-16-7-3-2-6-14(15)16/h2-3,6-7,15,18H,1,4-5,8-13H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane?
4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 272.39 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64954431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).