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

C9H14N2O2 — CID 118104160

IUPAC1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCC(=O)N1CCCC12CCNC2=O
InChIInChI=1S/C9H14N2O2/c1-7(12)11-6-2-3-9(11)4-5-10-8(9)13/h2-6H2,1H3,(H,10,13)
InChIKeyZRZZQEFJUHSGLP-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.11
Rot. Bonds

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

1-acetyl-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 118104160) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID118104160
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCC(=O)N1CCCC12CCNC2=O
InChIInChI=1S/C9H14N2O2/c1-7(12)11-6-2-3-9(11)4-5-10-8(9)13/h2-6H2,1H3,(H,10,13)
InChIKeyZRZZQEFJUHSGLP-UHFFFAOYSA-N
XLogP-0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one (CID 118104160) is 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one is CC(=O)N1CCCC12CCNC2=O.
What is the InChIKey of 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is ZRZZQEFJUHSGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(12)11-6-2-3-9(11)4-5-10-8(9)13/h2-6H2,1H3,(H,10,13).
What are the key properties of 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one?
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 182.22 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 118104160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).