2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone

C16H20N2O2 — CID 169211324

IUPAC2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone
SMILESO=C(N1CC2(CCCCC2)C1)N1OC1c1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15(17-11-16(12-17)9-5-2-6-10-16)18-14(20-18)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyFBNPTHOMFNWRJX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds1

About 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone

2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone (PubChem CID 169211324) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone
PubChem CID169211324
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone
SMILESO=C(N1CC2(CCCCC2)C1)N1OC1c1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15(17-11-16(12-17)9-5-2-6-10-16)18-14(20-18)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyFBNPTHOMFNWRJX-UHFFFAOYSA-N
XLogP3.32
TPSA35.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone?
The IUPAC name of 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone (CID 169211324) is 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone.
What is the SMILES notation for 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone?
The canonical SMILES for 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone is O=C(N1CC2(CCCCC2)C1)N1OC1c1ccccc1.
What is the InChIKey of 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone?
The InChIKey is FBNPTHOMFNWRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(17-11-16(12-17)9-5-2-6-10-16)18-14(20-18)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2.
What are the key properties of 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone?
2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone is sourced from PubChem (CID 169211324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).