1-Azaspiro[4.4]nonan-3-one

C8H13NO — CID 85967727

IUPAC1-azaspiro[4.4]nonan-3-one
SMILESC1CCC2(C1)CC(=O)CN2
InChIInChI=1S/C8H13NO/c10-7-5-8(9-6-7)3-1-2-4-8/h9H,1-6H2
InChIKeyCJJOINNKKUGWTM-UHFFFAOYSA-N
MW139.19 g/mol
LogP0.40
Rot. Bonds

About 1-Azaspiro[4.4]nonan-3-one

1-Azaspiro[4.4]nonan-3-one (PubChem CID 85967727) has the molecular formula C8H13NO and a molecular weight of 139.19 g/mol. Its IUPAC name is 1-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name1-Azaspiro[4.4]nonan-3-one
PubChem CID85967727
Molecular FormulaC8H13NO
Molecular Weight139.19 g/mol
Exact Mass139.10
IUPAC Name1-azaspiro[4.4]nonan-3-one
SMILESC1CCC2(C1)CC(=O)CN2
InChIInChI=1S/C8H13NO/c10-7-5-8(9-6-7)3-1-2-4-8/h9H,1-6H2
InChIKeyCJJOINNKKUGWTM-UHFFFAOYSA-N
XLogP0.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity159

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1-azaspiro[4.4]nonan-4-one
CID 83681689
1-Azaspiro[4.4]nonan-4-one;hydrochloride
CID 115014607
1-Azaspiro(4.4)nonan-3-one hydrochloride
CID 115014608
1-Azaspiro[4.5]decan-3-one
CID 67157664
1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone
CID 177059672
1-[1-(Propylamino)cyclopentyl]ethanone
CID 70294949
1-Azaspiro[4.5]decan-4-one
CID 13282877
1-Azaspiro[4.4]nonan-4-one
CID 19817612
1-Azaspiro[4.5]decan-4-one, hydrochloride
CID 20471602
1-(2-Azaspiro[4.4]nonan-3-yl)ethanone
CID 20647146
2-Azaspiro[4.4]nonan-4-one
CID 21494522
6-Azaspiro[4.5]decan-9-one
CID 23009350

Frequently Asked Questions

What is the IUPAC name of 1-Azaspiro[4.4]nonan-3-one?
The IUPAC name of 1-Azaspiro[4.4]nonan-3-one (CID 85967727) is 1-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 1-Azaspiro[4.4]nonan-3-one?
The canonical SMILES for 1-Azaspiro[4.4]nonan-3-one is C1CCC2(C1)CC(=O)CN2.
What is the InChIKey of 1-Azaspiro[4.4]nonan-3-one?
The InChIKey is CJJOINNKKUGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-5-8(9-6-7)3-1-2-4-8/h9H,1-6H2.
What are the key properties of 1-Azaspiro[4.4]nonan-3-one?
1-Azaspiro[4.4]nonan-3-one has a molecular weight of 139.19 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 85967727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).