9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C18H21NO3 — CID 72897769

IUPAC9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1c(CN2CC3(CCOC3)CCC2=O)oc2ccccc12
InChIInChI=1S/C18H21NO3/c1-13-14-4-2-3-5-15(14)22-16(13)10-19-11-18(7-6-17(19)20)8-9-21-12-18/h2-5H,6-12H2,1H3
InChIKeyJSXNVIFYYBISEO-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.27
Rot. Bonds2

About 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72897769) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72897769
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1c(CN2CC3(CCOC3)CCC2=O)oc2ccccc12
InChIInChI=1S/C18H21NO3/c1-13-14-4-2-3-5-15(14)22-16(13)10-19-11-18(7-6-17(19)20)8-9-21-12-18/h2-5H,6-12H2,1H3
InChIKeyJSXNVIFYYBISEO-UHFFFAOYSA-N
XLogP3.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127415
(6S)-10-ethyl-1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97155674
1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138809629
9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72939057
(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97145131
6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50969145
9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72916661
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97131962
(5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127274
9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72862931
N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 56747250

Frequently Asked Questions

What is the IUPAC name of 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72897769) is 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is Cc1c(CN2CC3(CCOC3)CCC2=O)oc2ccccc12.
What is the InChIKey of 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is JSXNVIFYYBISEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-14-4-2-3-5-15(14)22-16(13)10-19-11-18(7-6-17(19)20)8-9-21-12-18/h2-5H,6-12H2,1H3.
What are the key properties of 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 299.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72897769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).