2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone

C16H24N2O2 — CID 102849550

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCCC3(CCCNC3)C2)o1
InChIInChI=1S/C16H24N2O2/c1-2-13-5-6-14(20-13)15(19)18-10-4-8-16(12-18)7-3-9-17-11-16/h5-6,17H,2-4,7-12H2,1H3
InChIKeySAQRGOHKZZDFMN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds2

About 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone (PubChem CID 102849550) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone
PubChem CID102849550
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCCC3(CCCNC3)C2)o1
InChIInChI=1S/C16H24N2O2/c1-2-13-5-6-14(20-13)15(19)18-10-4-8-16(12-18)7-3-9-17-11-16/h5-6,17H,2-4,7-12H2,1H3
InChIKeySAQRGOHKZZDFMN-UHFFFAOYSA-N
XLogP2.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone (CID 102849550) is 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)N2CCCC3(CCCNC3)C2)o1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone?
The InChIKey is SAQRGOHKZZDFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-13-5-6-14(20-13)15(19)18-10-4-8-16(12-18)7-3-9-17-11-16/h5-6,17H,2-4,7-12H2,1H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 102849550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).