12-methoxy-1-methyl-azacyclododecan-2-one

C13H25NO2 — CID 134988159

IUPAC12-methoxy-1-methyl-azacyclododecan-2-one
SMILESCOC1CCCCCCCCCC(=O)N1C
InChIInChI=1S/C13H25NO2/c1-14-12(15)10-8-6-4-3-5-7-9-11-13(14)16-2/h13H,3-11H2,1-2H3
InChIKeyMCIPKUFGIDFVAC-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.94
Rot. Bonds1

About 12-methoxy-1-methyl-azacyclododecan-2-one

12-methoxy-1-methyl-azacyclododecan-2-one (PubChem CID 134988159) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 12-methoxy-1-methyl-azacyclododecan-2-one.

Molecular Properties

Compound Name12-methoxy-1-methyl-azacyclododecan-2-one
PubChem CID134988159
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name12-methoxy-1-methyl-azacyclododecan-2-one
SMILESCOC1CCCCCCCCCC(=O)N1C
InChIInChI=1S/C13H25NO2/c1-14-12(15)10-8-6-4-3-5-7-9-11-13(14)16-2/h13H,3-11H2,1-2H3
InChIKeyMCIPKUFGIDFVAC-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-methoxy-1-methyl-azacyclododecan-2-one?
The IUPAC name of 12-methoxy-1-methyl-azacyclododecan-2-one (CID 134988159) is 12-methoxy-1-methyl-azacyclododecan-2-one.
What is the SMILES notation for 12-methoxy-1-methyl-azacyclododecan-2-one?
The canonical SMILES for 12-methoxy-1-methyl-azacyclododecan-2-one is COC1CCCCCCCCCC(=O)N1C.
What is the InChIKey of 12-methoxy-1-methyl-azacyclododecan-2-one?
The InChIKey is MCIPKUFGIDFVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-14-12(15)10-8-6-4-3-5-7-9-11-13(14)16-2/h13H,3-11H2,1-2H3.
What are the key properties of 12-methoxy-1-methyl-azacyclododecan-2-one?
12-methoxy-1-methyl-azacyclododecan-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-1-methyl-azacyclododecan-2-one is sourced from PubChem (CID 134988159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).