1,2,11-triazaspiro[4.7]dodecan-12-one

C9H17N3O — CID 139384067

IUPAC1,2,11-triazaspiro[4.7]dodecan-12-one
SMILESO=C1NCCCCCC12CCNN2
InChIInChI=1S/C9H17N3O/c13-8-9(5-7-11-12-9)4-2-1-3-6-10-8/h11-12H,1-7H2,(H,10,13)
InChIKeyQSRJATJDJQPLKI-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.09
Rot. Bonds

About 1,2,11-triazaspiro[4.7]dodecan-12-one

1,2,11-triazaspiro[4.7]dodecan-12-one (PubChem CID 139384067) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,2,11-triazaspiro[4.7]dodecan-12-one.

Molecular Properties

Compound Name1,2,11-triazaspiro[4.7]dodecan-12-one
PubChem CID139384067
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1,2,11-triazaspiro[4.7]dodecan-12-one
SMILESO=C1NCCCCCC12CCNN2
InChIInChI=1S/C9H17N3O/c13-8-9(5-7-11-12-9)4-2-1-3-6-10-8/h11-12H,1-7H2,(H,10,13)
InChIKeyQSRJATJDJQPLKI-UHFFFAOYSA-N
XLogP-0.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxoazepane-3,3-dithiolate
CID 22026434
1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid
CID 161238757
8,11-diazaspiro[5.6]dodecane-7,12-dione
CID 82469216
2,13-diazaspiro[6.8]pentadecan-1-one
CID 175637955
1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride
CID 140987307
3-methoxy-3-methylazepan-2-one
CID 89257718
(4R)-2,5-diazaspiro[3.4]octan-3-one
CID 97170263
(4R)-1,6-diazaspiro[3.3]heptan-7-one
CID 171035437
2,8-diazaspiro[5.5]undecan-1-one
CID 45074354
1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
CID 86812140
1,7-diazaspiro[4.4]nonane-3,6-dione
CID 105430037
2,10-diazaspiro[4.6]undecan-1-one
CID 105433866

Frequently Asked Questions

What is the IUPAC name of 1,2,11-triazaspiro[4.7]dodecan-12-one?
The IUPAC name of 1,2,11-triazaspiro[4.7]dodecan-12-one (CID 139384067) is 1,2,11-triazaspiro[4.7]dodecan-12-one.
What is the SMILES notation for 1,2,11-triazaspiro[4.7]dodecan-12-one?
The canonical SMILES for 1,2,11-triazaspiro[4.7]dodecan-12-one is O=C1NCCCCCC12CCNN2.
What is the InChIKey of 1,2,11-triazaspiro[4.7]dodecan-12-one?
The InChIKey is QSRJATJDJQPLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-8-9(5-7-11-12-9)4-2-1-3-6-10-8/h11-12H,1-7H2,(H,10,13).
What are the key properties of 1,2,11-triazaspiro[4.7]dodecan-12-one?
1,2,11-triazaspiro[4.7]dodecan-12-one has a molecular weight of 183.25 g/mol, XLogP of -0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,11-triazaspiro[4.7]dodecan-12-one is sourced from PubChem (CID 139384067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).