2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C8H14AlN3O — CID 154557056

IUPAC2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN1CCC2(CC1)N=C([AlH2])NC2=O
InChIInChI=1S/C8H12N3O.Al.2H/c1-11-4-2-8(3-5-11)7(12)9-6-10-8;;;/h2-5H2,1H3,(H,9,10,12);;;
InChIKeyQFOUNLYVCKCTOQ-UHFFFAOYSA-N
MW195.20 g/mol
LogP-1.43
Rot. Bonds

About 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 154557056) has the molecular formula C8H14AlN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID154557056
Molecular FormulaC8H14AlN3O
Molecular Weight195.20 g/mol
Exact Mass195.10
IUPAC Name2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN1CCC2(CC1)N=C([AlH2])NC2=O
InChIInChI=1S/C8H12N3O.Al.2H/c1-11-4-2-8(3-5-11)7(12)9-6-10-8;;;/h2-5H2,1H3,(H,9,10,12);;;
InChIKeyQFOUNLYVCKCTOQ-UHFFFAOYSA-N
XLogP-1.43
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622667
8-Ethyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 20622674
2,8-Dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22097503
3-Methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 22975678
8-Methyl-2-methylsulfanyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70079644
2-Methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70995660
2,8-Dimethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 145391092
8-Tert-butyl-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 154599933
1-Methyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one
CID 82277000
2-Amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 82996111
2-Amino-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 82997094
2-Amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 82997594

Frequently Asked Questions

What is the IUPAC name of 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 154557056) is 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN1CCC2(CC1)N=C([AlH2])NC2=O.
What is the InChIKey of 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is QFOUNLYVCKCTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N3O.Al.2H/c1-11-4-2-8(3-5-11)7(12)9-6-10-8;;;/h2-5H2,1H3,(H,9,10,12);;;.
What are the key properties of 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 195.20 g/mol, XLogP of -1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-alumanyl-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 154557056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).