2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone

C13H17NO3 — CID 136570966

IUPAC2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone
SMILESO=C(Cc1ccco1)N1CCCOC12CCC2
InChIInChI=1S/C13H17NO3/c15-12(10-11-4-1-8-16-11)14-7-3-9-17-13(14)5-2-6-13/h1,4,8H,2-3,5-7,9-10H2
InChIKeyJJTWBMJGAONQOX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.95
Rot. Bonds2

About 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone

2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone (PubChem CID 136570966) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone
PubChem CID136570966
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone
SMILESO=C(Cc1ccco1)N1CCCOC12CCC2
InChIInChI=1S/C13H17NO3/c15-12(10-11-4-1-8-16-11)14-7-3-9-17-13(14)5-2-6-13/h1,4,8H,2-3,5-7,9-10H2
InChIKeyJJTWBMJGAONQOX-UHFFFAOYSA-N
XLogP1.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one
CID 116591276
2-(furan-2-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171953
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 84585261
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanone
CID 167784706
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone
CID 83172966
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
2-(furan-2-ylmethyl)prop-2-enal
CID 117266840
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone?
The IUPAC name of 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone (CID 136570966) is 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone is O=C(Cc1ccco1)N1CCCOC12CCC2.
What is the InChIKey of 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone?
The InChIKey is JJTWBMJGAONQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12(10-11-4-1-8-16-11)14-7-3-9-17-13(14)5-2-6-13/h1,4,8H,2-3,5-7,9-10H2.
What are the key properties of 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone?
2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone has a molecular weight of 235.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone is sourced from PubChem (CID 136570966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).