phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone

C19H19N3O2 — CID 134787749

IUPACphenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC2(CC(c3ccccn3)=NO2)C1
InChIInChI=1S/C19H19N3O2/c23-18(15-7-2-1-3-8-15)22-12-6-10-19(14-22)13-17(21-24-19)16-9-4-5-11-20-16/h1-5,7-9,11H,6,10,12-14H2
InChIKeyDOCHFKOQOOZHAT-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.88
Rot. Bonds2

About phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone

phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone (PubChem CID 134787749) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
PubChem CID134787749
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namephenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC2(CC(c3ccccn3)=NO2)C1
InChIInChI=1S/C19H19N3O2/c23-18(15-7-2-1-3-8-15)22-12-6-10-19(14-22)13-17(21-24-19)16-9-4-5-11-20-16/h1-5,7-9,11H,6,10,12-14H2
InChIKeyDOCHFKOQOOZHAT-UHFFFAOYSA-N
XLogP2.88
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134789259
9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079601
CID 134787889
CID 134787889
phenyl-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97474956
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134790637
8-phenyl-3-pyridin-2-yl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 11976180
3-phenyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134787877
phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493644
1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone
CID 134790728
N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691289
N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075221

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The IUPAC name of phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone (CID 134787749) is phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone.
What is the SMILES notation for phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The canonical SMILES for phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone is O=C(c1ccccc1)N1CCCC2(CC(c3ccccn3)=NO2)C1.
What is the InChIKey of phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
The InChIKey is DOCHFKOQOOZHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(15-7-2-1-3-8-15)22-12-6-10-19(14-22)13-17(21-24-19)16-9-4-5-11-20-16/h1-5,7-9,11H,6,10,12-14H2.
What are the key properties of phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone?
phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone is sourced from PubChem (CID 134787749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).