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

C16H17N3O2 — CID 9114618

IUPAC8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
SMILESN#CC1(c2ccccc2)CCC2(CC1)CC(C(N)=O)=NO2
InChIInChI=1S/C16H17N3O2/c17-11-15(12-4-2-1-3-5-12)6-8-16(9-7-15)10-13(14(18)20)19-21-16/h1-5H,6-10H2,(H2,18,20)
InChIKeyLDYHRUGNEDZJDX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.02
Rot. Bonds2

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

8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 9114618) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID9114618
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
SMILESN#CC1(c2ccccc2)CCC2(CC1)CC(C(N)=O)=NO2
InChIInChI=1S/C16H17N3O2/c17-11-15(12-4-2-1-3-5-12)6-8-16(9-7-15)10-13(14(18)20)19-21-16/h1-5H,6-10H2,(H2,18,20)
InChIKeyLDYHRUGNEDZJDX-UHFFFAOYSA-N
XLogP2.02
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-carboxamide?
The IUPAC name of 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide (CID 9114618) is 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide is N#CC1(c2ccccc2)CCC2(CC1)CC(C(N)=O)=NO2.
What is the InChIKey of 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is LDYHRUGNEDZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-11-15(12-4-2-1-3-5-12)6-8-16(9-7-15)10-13(14(18)20)19-21-16/h1-5H,6-10H2,(H2,18,20).
What are the key properties of 8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
8-cyano-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-carboxamide is sourced from PubChem (CID 9114618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).