2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride

C7H15Cl2N3O — CID 162422730

IUPAC2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride
SMILESCl.Cl.O=C1NCCCNC12CNC2
InChIInChI=1S/C7H13N3O.2ClH/c11-6-7(4-8-5-7)10-3-1-2-9-6;;/h8,10H,1-5H2,(H,9,11);2*1H
InChIKeyJWDODIVQICCJIP-UHFFFAOYSA-N
MW228.12 g/mol
LogP-0.72
Rot. Bonds

About 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride

2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride (PubChem CID 162422730) has the molecular formula C7H15Cl2N3O and a molecular weight of 228.12 g/mol. Its IUPAC name is 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride.

Molecular Properties

Compound Name2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride
PubChem CID162422730
Molecular FormulaC7H15Cl2N3O
Molecular Weight228.12 g/mol
Exact Mass227.06
IUPAC Name2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride
SMILESCl.Cl.O=C1NCCCNC12CNC2
InChIInChI=1S/C7H13N3O.2ClH/c11-6-7(4-8-5-7)10-3-1-2-9-6;;/h8,10H,1-5H2,(H,9,11);2*1H
InChIKeyJWDODIVQICCJIP-UHFFFAOYSA-N
XLogP-0.72
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2,5-diazaspiro[3.4]octan-3-one
CID 97170263
1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
CID 86812140
(4R)-1,6-diazaspiro[3.3]heptan-7-one
CID 171035437
1,3-diazinan-2-one;hydrochloride
CID 78169824
2,8-diazaspiro[5.5]undecan-1-one
CID 45074354
1,4,8,11-tetrazacyclotetradecane-2,10-dione
CID 10944213
9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride
CID 139741164
8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one
CID 89003952
1,5-diazocan-3-one;dihydrochloride
CID 118993465
1,2,11-triazaspiro[4.7]dodecan-12-one
CID 139384067
9-oxa-2,6-diazaspiro[4.5]decan-1-one
CID 165458993
(5S)-2-oxa-6,9-diazaspiro[4.5]decan-10-one
CID 129370053

Frequently Asked Questions

What is the IUPAC name of 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride?
The IUPAC name of 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride (CID 162422730) is 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride.
What is the SMILES notation for 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride?
The canonical SMILES for 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride is Cl.Cl.O=C1NCCCNC12CNC2.
What is the InChIKey of 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride?
The InChIKey is JWDODIVQICCJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.2ClH/c11-6-7(4-8-5-7)10-3-1-2-9-6;;/h8,10H,1-5H2,(H,9,11);2*1H.
What are the key properties of 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride?
2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride has a molecular weight of 228.12 g/mol, XLogP of -0.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride is sourced from PubChem (CID 162422730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).