2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride

C9H19Cl2N3O — CID 162422718

IUPAC2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
SMILESCl.Cl.O=C1CNCCC2(CCCNC2)N1
InChIInChI=1S/C9H17N3O.2ClH/c13-8-6-10-5-3-9(12-8)2-1-4-11-7-9;;/h10-11H,1-7H2,(H,12,13);2*1H
InChIKeyCSKIUPOPRXLZJC-UHFFFAOYSA-N
MW256.18 g/mol
LogP0.06
Rot. Bonds

About 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride

2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride (PubChem CID 162422718) has the molecular formula C9H19Cl2N3O and a molecular weight of 256.18 g/mol. Its IUPAC name is 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride.

Molecular Properties

Compound Name2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
PubChem CID162422718
Molecular FormulaC9H19Cl2N3O
Molecular Weight256.18 g/mol
Exact Mass255.09
IUPAC Name2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
SMILESCl.Cl.O=C1CNCCC2(CCCNC2)N1
InChIInChI=1S/C9H17N3O.2ClH/c13-8-6-10-5-3-9(12-8)2-1-4-11-7-9;;/h10-11H,1-7H2,(H,12,13);2*1H
InChIKeyCSKIUPOPRXLZJC-UHFFFAOYSA-N
XLogP0.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,7,10-triazaspiro[5.6]dodecan-8-one
CID 162422719
4-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 115067081
1,3,9-triazaspiro[4.5]decan-2-one
CID 83679914
1,4,9-triazaspiro[4.5]decan-3-one
CID 67172447
7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen
CID 143599230
3-oxa-1,9-diazaspiro[4.5]decan-2-one
CID 83872853
2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
CID 151434915
2,6-diazaspiro[4.5]decan-9-one
CID 115011980
1,4,8-triazaspiro[5.5]undecane
CID 57350918
1,4,8,11-tetrazacyclotetradecane-2,10-dione
CID 10944213
2,9-diazaspiro[4.6]undecan-3-one;hydrochloride
CID 118385513
1,4-diazacyclotetradecan-2-one
CID 20610183

Frequently Asked Questions

What is the IUPAC name of 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride?
The IUPAC name of 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride (CID 162422718) is 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride.
What is the SMILES notation for 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride?
The canonical SMILES for 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride is Cl.Cl.O=C1CNCCC2(CCCNC2)N1.
What is the InChIKey of 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride?
The InChIKey is CSKIUPOPRXLZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.2ClH/c13-8-6-10-5-3-9(12-8)2-1-4-11-7-9;;/h10-11H,1-7H2,(H,12,13);2*1H.
What are the key properties of 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride?
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride has a molecular weight of 256.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride is sourced from PubChem (CID 162422718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).