13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one

C13H21NO3 — CID 54266863

IUPAC13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one
SMILESCN1CCC2(OCCO2)C2(CCCCC2)C1=O
InChIInChI=1S/C13H21NO3/c1-14-8-7-13(16-9-10-17-13)12(11(14)15)5-3-2-4-6-12/h2-10H2,1H3
InChIKeyRHJBYJPEKCTFST-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.54
Rot. Bonds

About 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one

13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one (PubChem CID 54266863) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one.

Molecular Properties

Compound Name13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one
PubChem CID54266863
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one
SMILESCN1CCC2(OCCO2)C2(CCCCC2)C1=O
InChIInChI=1S/C13H21NO3/c1-14-8-7-13(16-9-10-17-13)12(11(14)15)5-3-2-4-6-12/h2-10H2,1H3
InChIKeyRHJBYJPEKCTFST-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one?
The IUPAC name of 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one (CID 54266863) is 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one.
What is the SMILES notation for 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one?
The canonical SMILES for 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one is CN1CCC2(OCCO2)C2(CCCCC2)C1=O.
What is the InChIKey of 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one?
The InChIKey is RHJBYJPEKCTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14-8-7-13(16-9-10-17-13)12(11(14)15)5-3-2-4-6-12/h2-10H2,1H3.
What are the key properties of 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one?
13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one has a molecular weight of 239.31 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one is sourced from PubChem (CID 54266863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).