1-ethyl-1,7-diazaspiro[4.4]nonan-6-one

C9H16N2O — CID 123834364

IUPAC1-ethyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCCN1CCCC12CCNC2=O
InChIInChI=1S/C9H16N2O/c1-2-11-7-3-4-9(11)5-6-10-8(9)12/h2-7H2,1H3,(H,10,12)
InChIKeyRBFMEXFFAOGPQP-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds1

About 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one

1-ethyl-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 123834364) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1-ethyl-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID123834364
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-ethyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCCN1CCCC12CCNC2=O
InChIInChI=1S/C9H16N2O/c1-2-11-7-3-4-9(11)5-6-10-8(9)12/h2-7H2,1H3,(H,10,12)
InChIKeyRBFMEXFFAOGPQP-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 144964545
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160
1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162631165
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162638924
1-ethyl-9-(2-thiophen-3-ylacetyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495806
1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162636051
1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 20781160
1,6-diethyl-1,6-diazaspiro[4.4]nonane
CID 89371000
1-ethyl-9-[2-(5-fluoro-2-pyridinyl)acetyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 131682056
1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629640
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 156587130
1-ethyl-1,6-diazaspiro[4.4]nonane
CID 170571632

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one (CID 123834364) is 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one is CCN1CCCC12CCNC2=O.
What is the InChIKey of 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is RBFMEXFFAOGPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-11-7-3-4-9(11)5-6-10-8(9)12/h2-7H2,1H3,(H,10,12).
What are the key properties of 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one?
1-ethyl-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 168.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 123834364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).