7-methyl-1,7-diazacyclotridecan-8-one

C12H24N2O — CID 70065452

IUPAC7-methyl-1,7-diazacyclotridecan-8-one
SMILESCN1CCCCCNCCCCCC1=O
InChIInChI=1S/C12H24N2O/c1-14-11-7-3-6-10-13-9-5-2-4-8-12(14)15/h13H,2-11H2,1H3
InChIKeyHOHQVIKVAUAQCN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds

About 7-methyl-1,7-diazacyclotridecan-8-one

7-methyl-1,7-diazacyclotridecan-8-one (PubChem CID 70065452) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 7-methyl-1,7-diazacyclotridecan-8-one.

Molecular Properties

Compound Name7-methyl-1,7-diazacyclotridecan-8-one
PubChem CID70065452
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name7-methyl-1,7-diazacyclotridecan-8-one
SMILESCN1CCCCCNCCCCCC1=O
InChIInChI=1S/C12H24N2O/c1-14-11-7-3-6-10-13-9-5-2-4-8-12(14)15/h13H,2-11H2,1H3
InChIKeyHOHQVIKVAUAQCN-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,7-diazacyclotridecan-8-one?
The IUPAC name of 7-methyl-1,7-diazacyclotridecan-8-one (CID 70065452) is 7-methyl-1,7-diazacyclotridecan-8-one.
What is the SMILES notation for 7-methyl-1,7-diazacyclotridecan-8-one?
The canonical SMILES for 7-methyl-1,7-diazacyclotridecan-8-one is CN1CCCCCNCCCCCC1=O.
What is the InChIKey of 7-methyl-1,7-diazacyclotridecan-8-one?
The InChIKey is HOHQVIKVAUAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14-11-7-3-6-10-13-9-5-2-4-8-12(14)15/h13H,2-11H2,1H3.
What are the key properties of 7-methyl-1,7-diazacyclotridecan-8-one?
7-methyl-1,7-diazacyclotridecan-8-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,7-diazacyclotridecan-8-one is sourced from PubChem (CID 70065452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).