2-azaspiro[4.4]nonan-3-one

C8H13NO — CID 637594

IUPAC2-azaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCCC2)CN1
InChIInChI=1S/C8H13NO/c10-7-5-8(6-9-7)3-1-2-4-8/h1-6H2,(H,9,10)
InChIKeyJONWDDCKNVVMBS-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.07
Rot. Bonds

About 2-azaspiro[4.4]nonan-3-one

2-azaspiro[4.4]nonan-3-one (PubChem CID 637594) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-azaspiro[4.4]nonan-3-one
PubChem CID637594
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-azaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCCC2)CN1
InChIInChI=1S/C8H13NO/c10-7-5-8(6-9-7)3-1-2-4-8/h1-6H2,(H,9,10)
InChIKeyJONWDDCKNVVMBS-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azaspiro(4.5)decan-3-one
CID 47457
2-Azaspiro[4.4]nonane-1,3-dione
CID 4961799
2-Azaspiro(4.4)nonan-1-one
CID 21634102
4-(2-Methylpropyl)pyrrolidin-2-one
CID 16101323
Pregabalin lactam
CID 16101324
2-Azaspiro(4.5)decan-1-one
CID 25067265
2-Azaspiro(4.4)nonane-1,7-dione
CID 53493142
6-Azaspiro[3.4]octan-5-one
CID 12682984
4-Cyclobutylpyrrolidin-2-one
CID 22990583
2-Azaspiro[4.6]undecan-3-one
CID 23336699
(R)-5-tert-butylpyrrolidin-2-one
CID 55299063
6-Azaspiro[3.4]octan-7-one
CID 79027205

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 2-azaspiro[4.4]nonan-3-one (CID 637594) is 2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-azaspiro[4.4]nonan-3-one is O=C1CC2(CCCC2)CN1.
What is the InChIKey of 2-azaspiro[4.4]nonan-3-one?
The InChIKey is JONWDDCKNVVMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-5-8(6-9-7)3-1-2-4-8/h1-6H2,(H,9,10).
What are the key properties of 2-azaspiro[4.4]nonan-3-one?
2-azaspiro[4.4]nonan-3-one has a molecular weight of 139.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 637594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).