1-(5-azaspiro[2.3]hexan-2-yl)ethanone

C7H11NO — CID 84647837

IUPAC1-(5-azaspiro[2.3]hexan-2-yl)ethanone
SMILESCC(=O)C1CC12CNC2
InChIInChI=1S/C7H11NO/c1-5(9)6-2-7(6)3-8-4-7/h6,8H,2-4H2,1H3
InChIKeyUDSRHJNHQDDTOG-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.18
Rot. Bonds1

About 1-(5-azaspiro[2.3]hexan-2-yl)ethanone

1-(5-azaspiro[2.3]hexan-2-yl)ethanone (PubChem CID 84647837) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(5-azaspiro[2.3]hexan-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-azaspiro[2.3]hexan-2-yl)ethanone
PubChem CID84647837
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(5-azaspiro[2.3]hexan-2-yl)ethanone
SMILESCC(=O)C1CC12CNC2
InChIInChI=1S/C7H11NO/c1-5(9)6-2-7(6)3-8-4-7/h6,8H,2-4H2,1H3
InChIKeyUDSRHJNHQDDTOG-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[2.3]hexan-2-yl)ethanone?
The IUPAC name of 1-(5-azaspiro[2.3]hexan-2-yl)ethanone (CID 84647837) is 1-(5-azaspiro[2.3]hexan-2-yl)ethanone.
What is the SMILES notation for 1-(5-azaspiro[2.3]hexan-2-yl)ethanone?
The canonical SMILES for 1-(5-azaspiro[2.3]hexan-2-yl)ethanone is CC(=O)C1CC12CNC2.
What is the InChIKey of 1-(5-azaspiro[2.3]hexan-2-yl)ethanone?
The InChIKey is UDSRHJNHQDDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5(9)6-2-7(6)3-8-4-7/h6,8H,2-4H2,1H3.
What are the key properties of 1-(5-azaspiro[2.3]hexan-2-yl)ethanone?
1-(5-azaspiro[2.3]hexan-2-yl)ethanone has a molecular weight of 125.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[2.3]hexan-2-yl)ethanone is sourced from PubChem (CID 84647837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).