8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C20H21ClN2O — CID 134787886

IUPAC8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(c2ccccc2)=NO3)cc1
InChIInChI=1S/C20H21ClN2O/c21-18-8-6-16(7-9-18)15-23-12-10-20(11-13-23)14-19(22-24-20)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeySXIBFRGCPMAXTN-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.50
Rot. Bonds3

About 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134787886) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134787886
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(c2ccccc2)=NO3)cc1
InChIInChI=1S/C20H21ClN2O/c21-18-8-6-16(7-9-18)15-23-12-10-20(11-13-23)14-19(22-24-20)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeySXIBFRGCPMAXTN-UHFFFAOYSA-N
XLogP4.50
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134787886) is 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is Clc1ccc(CN2CCC3(CC2)CC(c2ccccc2)=NO3)cc1.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is SXIBFRGCPMAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-18-8-6-16(7-9-18)15-23-12-10-20(11-13-23)14-19(22-24-20)17-4-2-1-3-5-17/h1-9H,10-15H2.
What are the key properties of 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 340.85 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134787886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).