(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone

C15H21NO3 — CID 118741004

IUPAC(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
SMILESCCC1COC2(CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C15H21NO3/c1-2-12-10-15(19-11-12)5-7-16(8-6-15)14(17)13-4-3-9-18-13/h3-4,9,12H,2,5-8,10-11H2,1H3
InChIKeyKHFWMIGXBGLIKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds2

About (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone

(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone (PubChem CID 118741004) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
PubChem CID118741004
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
SMILESCCC1COC2(CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C15H21NO3/c1-2-12-10-15(19-11-12)5-7-16(8-6-15)14(17)13-4-3-9-18-13/h3-4,9,12H,2,5-8,10-11H2,1H3
InChIKeyKHFWMIGXBGLIKX-UHFFFAOYSA-N
XLogP2.70
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 133141655
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385590
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
CID 134074893
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
[9-[ethyl(methyl)amino]-3-azaspiro[5.5]undec-10-en-3-yl]-(furan-2-yl)methanone
CID 134077575
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
N-[[(7R)-2-(furan-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783408
furan-2-yl-[(3R,5R)-3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 98814692
furan-2-yl-[3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 131640209
4,8-bis(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 42820133

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone?
The IUPAC name of (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone (CID 118741004) is (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone?
The canonical SMILES for (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone is CCC1COC2(CCN(C(=O)c3ccco3)CC2)C1.
What is the InChIKey of (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone?
The InChIKey is KHFWMIGXBGLIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-12-10-15(19-11-12)5-7-16(8-6-15)14(17)13-4-3-9-18-13/h3-4,9,12H,2,5-8,10-11H2,1H3.
What are the key properties of (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone?
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 118741004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).