8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate

C16H15N2O3- — CID 9114619

IUPAC8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
SMILESN#CC1(c2ccccc2)CCC2(CC1)CC(C(=O)[O-])=NO2
InChIInChI=1S/C16H16N2O3/c17-11-15(12-4-2-1-3-5-12)6-8-16(9-7-15)10-13(14(19)20)18-21-16/h1-5H,6-10H2,(H,19,20)/p-1
InChIKeyLLSDAQLWWHXUKH-UHFFFAOYSA-M
MW283.31 g/mol
LogP1.29
Rot. Bonds2

About 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate

8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 9114619) has the molecular formula C16H15N2O3- and a molecular weight of 283.31 g/mol. Its IUPAC name is 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Name8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
PubChem CID9114619
Molecular FormulaC16H15N2O3-
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
SMILESN#CC1(c2ccccc2)CCC2(CC1)CC(C(=O)[O-])=NO2
InChIInChI=1S/C16H16N2O3/c17-11-15(12-4-2-1-3-5-12)6-8-16(9-7-15)10-13(14(19)20)18-21-16/h1-5H,6-10H2,(H,19,20)/p-1
InChIKeyLLSDAQLWWHXUKH-UHFFFAOYSA-M
XLogP1.29
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate (CID 9114619) is 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate is N#CC1(c2ccccc2)CCC2(CC1)CC(C(=O)[O-])=NO2.
What is the InChIKey of 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is LLSDAQLWWHXUKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O3/c17-11-15(12-4-2-1-3-5-12)6-8-16(9-7-15)10-13(14(19)20)18-21-16/h1-5H,6-10H2,(H,19,20)/p-1.
What are the key properties of 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 283.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 9114619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).