8-amino-2-azaspiro[4.5]decan-3-one

C9H16N2O — CID 58615081

IUPAC8-amino-2-azaspiro[4.5]decan-3-one
SMILESNC1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C9H16N2O/c10-7-1-3-9(4-2-7)5-8(12)11-6-9/h7H,1-6,10H2,(H,11,12)
InChIKeyBVLKRYJHZIYNIK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.39
Rot. Bonds

About 8-amino-2-azaspiro[4.5]decan-3-one

8-amino-2-azaspiro[4.5]decan-3-one (PubChem CID 58615081) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-amino-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-amino-2-azaspiro[4.5]decan-3-one
PubChem CID58615081
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name8-amino-2-azaspiro[4.5]decan-3-one
SMILESNC1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C9H16N2O/c10-7-1-3-9(4-2-7)5-8(12)11-6-9/h7H,1-6,10H2,(H,11,12)
InChIKeyBVLKRYJHZIYNIK-UHFFFAOYSA-N
XLogP0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-amino-2-azaspiro[4.5]decan-3-one (CID 58615081) is 8-amino-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-amino-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-amino-2-azaspiro[4.5]decan-3-one is NC1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-amino-2-azaspiro[4.5]decan-3-one?
The InChIKey is BVLKRYJHZIYNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-7-1-3-9(4-2-7)5-8(12)11-6-9/h7H,1-6,10H2,(H,11,12).
What are the key properties of 8-amino-2-azaspiro[4.5]decan-3-one?
8-amino-2-azaspiro[4.5]decan-3-one has a molecular weight of 168.24 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 58615081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).