4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one

C15H19N3O2 — CID 79967038

IUPAC4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESNC1=NC(=O)N(Cc2ccccc2)C12CCCOCC2
InChIInChI=1S/C15H19N3O2/c16-13-15(7-4-9-20-10-8-15)18(14(19)17-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H2,16,17,19)
InChIKeyLRIKOYDOJFLMJZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds2

About 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one

4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 79967038) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID79967038
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESNC1=NC(=O)N(Cc2ccccc2)C12CCCOCC2
InChIInChI=1S/C15H19N3O2/c16-13-15(7-4-9-20-10-8-15)18(14(19)17-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H2,16,17,19)
InChIKeyLRIKOYDOJFLMJZ-UHFFFAOYSA-N
XLogP1.92
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 79967038) is 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one is NC1=NC(=O)N(Cc2ccccc2)C12CCCOCC2.
What is the InChIKey of 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is LRIKOYDOJFLMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-13-15(7-4-9-20-10-8-15)18(14(19)17-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H2,16,17,19).
What are the key properties of 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79967038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).