ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C16H24N2O — CID 143444004

IUPACethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC.CN1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C14H18N2O.C2H6/c1-16-9-7-14(8-10-16)11-13(15-17-14)12-5-3-2-4-6-12;1-2/h2-6H,7-11H2,1H3;1-2H3
InChIKeyIWOBRUUNRKSQAU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.30
Rot. Bonds1

About ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 143444004) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Nameethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID143444004
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Nameethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC.CN1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C14H18N2O.C2H6/c1-16-9-7-14(8-10-16)11-13(15-17-14)12-5-3-2-4-6-12;1-2/h2-6H,7-11H2,1H3;1-2H3
InChIKeyIWOBRUUNRKSQAU-UHFFFAOYSA-N
XLogP3.30
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 143444004) is ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC.CN1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is IWOBRUUNRKSQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2H6/c1-16-9-7-14(8-10-16)11-13(15-17-14)12-5-3-2-4-6-12;1-2/h2-6H,7-11H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 260.38 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 143444004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).