8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

C19H21N3O — CID 162651338

IUPAC8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
SMILESc1ccc(CN2CCC3(CC2)N=C(c2ccccc2)NO3)cc1
InChIInChI=1S/C19H21N3O/c1-3-7-16(8-4-1)15-22-13-11-19(12-14-22)20-18(21-23-19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21)
InChIKeyLYWMJYPIYYCRFL-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.96
Rot. Bonds3

About 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene (PubChem CID 162651338) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
PubChem CID162651338
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
SMILESc1ccc(CN2CCC3(CC2)N=C(c2ccccc2)NO3)cc1
InChIInChI=1S/C19H21N3O/c1-3-7-16(8-4-1)15-22-13-11-19(12-14-22)20-18(21-23-19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21)
InChIKeyLYWMJYPIYYCRFL-UHFFFAOYSA-N
XLogP2.96
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The IUPAC name of 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene (CID 162651338) is 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene is c1ccc(CN2CCC3(CC2)N=C(c2ccccc2)NO3)cc1.
What is the InChIKey of 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The InChIKey is LYWMJYPIYYCRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-7-16(8-4-1)15-22-13-11-19(12-14-22)20-18(21-23-19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21).
What are the key properties of 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene has a molecular weight of 307.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 162651338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).