2,7-diazaspiro[4.4]nonan-3-one

C7H12N2O — CID 23111903

IUPAC2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCNC2)CN1
InChIInChI=1S/C7H12N2O/c10-6-3-7(5-9-6)1-2-8-4-7/h8H,1-5H2,(H,9,10)
InChIKeyWIGUNJUDINBXPD-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.51
Rot. Bonds

About 2,7-diazaspiro[4.4]nonan-3-one

2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 23111903) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]nonan-3-one
PubChem CID23111903
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCNC2)CN1
InChIInChI=1S/C7H12N2O/c10-6-3-7(5-9-6)1-2-8-4-7/h8H,1-5H2,(H,9,10)
InChIKeyWIGUNJUDINBXPD-UHFFFAOYSA-N
XLogP-0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2,7-diazaspiro[4.4]nonan-3-one (CID 23111903) is 2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCNC2)CN1.
What is the InChIKey of 2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is WIGUNJUDINBXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-6-3-7(5-9-6)1-2-8-4-7/h8H,1-5H2,(H,9,10).
What are the key properties of 2,7-diazaspiro[4.4]nonan-3-one?
2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 140.19 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 23111903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).