3,9-diazaspiro[5.5]undecane-2,5-dione

C9H14N2O2 — CID 59929903

IUPAC3,9-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CC2(CCNCC2)C(=O)CN1
InChIInChI=1S/C9H14N2O2/c12-7-6-11-8(13)5-9(7)1-3-10-4-2-9/h10H,1-6H2,(H,11,13)
InChIKeyKIHUZYPTQQZRJW-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.55
Rot. Bonds

About 3,9-diazaspiro[5.5]undecane-2,5-dione

3,9-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 59929903) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecane-2,5-dione
PubChem CID59929903
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3,9-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CC2(CCNCC2)C(=O)CN1
InChIInChI=1S/C9H14N2O2/c12-7-6-11-8(13)5-9(7)1-3-10-4-2-9/h10H,1-6H2,(H,11,13)
InChIKeyKIHUZYPTQQZRJW-UHFFFAOYSA-N
XLogP-0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175637955
aziridin-2-one
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2,9-diazaspiro[4.6]undecan-3-one;hydrochloride
CID 118385513
(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one
CID 145360718
3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 54390266
6-azaspiro[2.5]octan-7-one;ethane
CID 144760089
3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one
CID 132549867
2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one
CID 10464720
1,5-dioxa-9-azaspiro[5.5]undecan-11-one
CID 54164859

Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3,9-diazaspiro[5.5]undecane-2,5-dione (CID 59929903) is 3,9-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3,9-diazaspiro[5.5]undecane-2,5-dione is O=C1CC2(CCNCC2)C(=O)CN1.
What is the InChIKey of 3,9-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is KIHUZYPTQQZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-7-6-11-8(13)5-9(7)1-3-10-4-2-9/h10H,1-6H2,(H,11,13).
What are the key properties of 3,9-diazaspiro[5.5]undecane-2,5-dione?
3,9-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 59929903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).