3,9-diazaspiro[5.6]dodecan-10-one

C10H18N2O — CID 52644115

IUPAC3,9-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCC2(CCNCC2)CCN1
InChIInChI=1S/C10H18N2O/c13-9-1-2-10(5-8-12-9)3-6-11-7-4-10/h11H,1-8H2,(H,12,13)
InChIKeyIOFACBFNQDKXJM-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.66
Rot. Bonds

About 3,9-diazaspiro[5.6]dodecan-10-one

3,9-diazaspiro[5.6]dodecan-10-one (PubChem CID 52644115) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,9-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3,9-diazaspiro[5.6]dodecan-10-one
PubChem CID52644115
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,9-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCC2(CCNCC2)CCN1
InChIInChI=1S/C10H18N2O/c13-9-1-2-10(5-8-12-9)3-6-11-7-4-10/h11H,1-8H2,(H,12,13)
InChIKeyIOFACBFNQDKXJM-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3,9-diazaspiro[5.6]dodecan-10-one (CID 52644115) is 3,9-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3,9-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3,9-diazaspiro[5.6]dodecan-10-one is O=C1CCC2(CCNCC2)CCN1.
What is the InChIKey of 3,9-diazaspiro[5.6]dodecan-10-one?
The InChIKey is IOFACBFNQDKXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-9-1-2-10(5-8-12-9)3-6-11-7-4-10/h11H,1-8H2,(H,12,13).
What are the key properties of 3,9-diazaspiro[5.6]dodecan-10-one?
3,9-diazaspiro[5.6]dodecan-10-one has a molecular weight of 182.27 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 52644115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).