1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

C11H15NO3 — CID 102119219

IUPAC1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
SMILESCC12OC3NC4OC(C)(O1)C1C4CC3C12
InChIInChI=1S/C11H15NO3/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9,12H,3H2,1-2H3
InChIKeyYMDBLPMBKOSSEP-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.63
Rot. Bonds

About 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane (PubChem CID 102119219) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane.

Molecular Properties

Compound Name1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
PubChem CID102119219
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
SMILESCC12OC3NC4OC(C)(O1)C1C4CC3C12
InChIInChI=1S/C11H15NO3/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9,12H,3H2,1-2H3
InChIKeyYMDBLPMBKOSSEP-UHFFFAOYSA-N
XLogP0.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane with MolForge

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Related Compounds

(1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 11469877
(1S,2R,3S,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 15976081
(1S,3R,4R,6S,7S,9R,10R,11R)-3,7-dimethoxy-1,9-dimethyl-2,8,12-trioxatetracyclo[7.2.1.04,11.06,10]dodecane
CID 10729752
1-(1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecan-8-yl)ethanone
CID 102119234
1-(1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecan-8-yl)propan-1-one
CID 102119235
(1S,2S,3S,4S,6R,7R,9S,11S)-1,11,13-trimethyl-10,12-dioxa-8-thia-13-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 10999109
1,11-dimethylspiro[8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane-5,1'-cyclopropane]
CID 101112323
(4R,10S)-9-acetyl-10-hydroxy-4,6-dimethyl-5,7-dioxa-9-azatetracyclo[6.4.0.02,6.03,11]dodecane-4-carbonitrile
CID 102119240
1-benzyl-11-methyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 15759530
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
(1S,2R,3S,4R,6S,7S,9R,11R)-1,11-dimethyl-12-oxa-8,10,13-trithiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 15973165
3,5-dimethyl-2,4,6-trioxa-8,15-dithiahexacyclo[7.5.1.03,13.05,12.07,11.010,14]pentadecane
CID 85300047

Frequently Asked Questions

What is the IUPAC name of 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The IUPAC name of 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane (CID 102119219) is 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane.
What is the SMILES notation for 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The canonical SMILES for 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane is CC12OC3NC4OC(C)(O1)C1C4CC3C12.
What is the InChIKey of 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The InChIKey is YMDBLPMBKOSSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9,12H,3H2,1-2H3.
What are the key properties of 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane has a molecular weight of 209.24 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane is sourced from PubChem (CID 102119219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).