1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one

C9H17N3O — CID 82407055

IUPAC1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one
SMILESCN1CC(=O)NCC12CCNCC2
InChIInChI=1S/C9H17N3O/c1-12-6-8(13)11-7-9(12)2-4-10-5-3-9/h10H,2-7H2,1H3,(H,11,13)
InChIKeyUYIMBZVNSQPCPT-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.83
Rot. Bonds

About 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one

1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one (PubChem CID 82407055) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one
PubChem CID82407055
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one
SMILESCN1CC(=O)NCC12CCNCC2
InChIInChI=1S/C9H17N3O/c1-12-6-8(13)11-7-9(12)2-4-10-5-3-9/h10H,2-7H2,1H3,(H,11,13)
InChIKeyUYIMBZVNSQPCPT-UHFFFAOYSA-N
XLogP-0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one?
The IUPAC name of 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one (CID 82407055) is 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one?
The canonical SMILES for 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one is CN1CC(=O)NCC12CCNCC2.
What is the InChIKey of 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one?
The InChIKey is UYIMBZVNSQPCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-12-6-8(13)11-7-9(12)2-4-10-5-3-9/h10H,2-7H2,1H3,(H,11,13).
What are the key properties of 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one?
1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one has a molecular weight of 183.25 g/mol, XLogP of -0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 82407055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).