9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C15H22N2O3 — CID 97471371

IUPAC9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(CN2CCC3(CC2)CNC(=O)CO3)oc1C
InChIInChI=1S/C15H22N2O3/c1-11-7-13(20-12(11)2)8-17-5-3-15(4-6-17)10-16-14(18)9-19-15/h7H,3-6,8-10H2,1-2H3,(H,16,18)
InChIKeySMXHJEHMSZZFEH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds2

About 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471371) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471371
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(CN2CCC3(CC2)CNC(=O)CO3)oc1C
InChIInChI=1S/C15H22N2O3/c1-11-7-13(20-12(11)2)8-17-5-3-15(4-6-17)10-16-14(18)9-19-15/h7H,3-6,8-10H2,1-2H3,(H,16,18)
InChIKeySMXHJEHMSZZFEH-UHFFFAOYSA-N
XLogP1.38
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392222
9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163308018
9-[2-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522105
9-(1,3-benzothiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638803
9-[(3-phenoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162628118
2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717925
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162629408
9-[4-(4-methylphenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522040
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357
9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155830849
2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138382560
3-methyl-5-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid
CID 63002732

Frequently Asked Questions

What is the IUPAC name of 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471371) is 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cc(CN2CCC3(CC2)CNC(=O)CO3)oc1C.
What is the InChIKey of 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SMXHJEHMSZZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-7-13(20-12(11)2)8-17-5-3-15(4-6-17)10-16-14(18)9-19-15/h7H,3-6,8-10H2,1-2H3,(H,16,18).
What are the key properties of 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 278.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).