1,9-diazaspiro[5.5]undecan-5-one

C9H16N2O — CID 115013461

IUPAC1,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1CCCNC12CCNCC2
InChIInChI=1S/C9H16N2O/c12-8-2-1-5-11-9(8)3-6-10-7-4-9/h10-11H,1-7H2
InChIKeyLALDCIMIGQAXJX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.06
Rot. Bonds

About 1,9-diazaspiro[5.5]undecan-5-one

1,9-diazaspiro[5.5]undecan-5-one (PubChem CID 115013461) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1,9-diazaspiro[5.5]undecan-5-one
PubChem CID115013461
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1CCCNC12CCNCC2
InChIInChI=1S/C9H16N2O/c12-8-2-1-5-11-9(8)3-6-10-7-4-9/h10-11H,1-7H2
InChIKeyLALDCIMIGQAXJX-UHFFFAOYSA-N
XLogP0.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 1,9-diazaspiro[5.5]undecan-5-one (CID 115013461) is 1,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1,9-diazaspiro[5.5]undecan-5-one is O=C1CCCNC12CCNCC2.
What is the InChIKey of 1,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is LALDCIMIGQAXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-8-2-1-5-11-9(8)3-6-10-7-4-9/h10-11H,1-7H2.
What are the key properties of 1,9-diazaspiro[5.5]undecan-5-one?
1,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 168.24 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 115013461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).