10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene

C16H15NO2 — CID 73346471

IUPAC10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene
SMILESCC1(C)CCc2c(c3ccccc3c3ncoc23)O1
InChIInChI=1S/C16H15NO2/c1-16(2)8-7-12-14(19-16)11-6-4-3-5-10(11)13-15(12)18-9-17-13/h3-6,9H,7-8H2,1-2H3
InChIKeyJEAZVBFFBRWIJD-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.08
Rot. Bonds

About 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene

10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene (PubChem CID 73346471) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene.

Molecular Properties

Compound Name10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene
PubChem CID73346471
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene
SMILESCC1(C)CCc2c(c3ccccc3c3ncoc23)O1
InChIInChI=1S/C16H15NO2/c1-16(2)8-7-12-14(19-16)11-6-4-3-5-10(11)13-15(12)18-9-17-13/h3-6,9H,7-8H2,1-2H3
InChIKeyJEAZVBFFBRWIJD-UHFFFAOYSA-N
XLogP4.08
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene?
The IUPAC name of 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene (CID 73346471) is 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene.
What is the SMILES notation for 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene?
The canonical SMILES for 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene is CC1(C)CCc2c(c3ccccc3c3ncoc23)O1.
What is the InChIKey of 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene?
The InChIKey is JEAZVBFFBRWIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-16(2)8-7-12-14(19-16)11-6-4-3-5-10(11)13-15(12)18-9-17-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene?
10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene has a molecular weight of 253.30 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene is sourced from PubChem (CID 73346471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).