7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one

C11H14N2O2 — CID 10488492

IUPAC7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one
SMILESO=C1OCCCn2cc3c(n2)CC1CC3
InChIInChI=1S/C11H14N2O2/c14-11-8-2-3-9-7-13(4-1-5-15-11)12-10(9)6-8/h7-8H,1-6H2
InChIKeyOROPNJWFAQBDAT-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.93
Rot. Bonds

About 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one

7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one (PubChem CID 10488492) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one.

Molecular Properties

Compound Name7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one
PubChem CID10488492
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one
SMILESO=C1OCCCn2cc3c(n2)CC1CC3
InChIInChI=1S/C11H14N2O2/c14-11-8-2-3-9-7-13(4-1-5-15-11)12-10(9)6-8/h7-8H,1-6H2
InChIKeyOROPNJWFAQBDAT-UHFFFAOYSA-N
XLogP0.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one?
The IUPAC name of 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one (CID 10488492) is 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one.
What is the SMILES notation for 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one?
The canonical SMILES for 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one is O=C1OCCCn2cc3c(n2)CC1CC3.
What is the InChIKey of 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one?
The InChIKey is OROPNJWFAQBDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11-8-2-3-9-7-13(4-1-5-15-11)12-10(9)6-8/h7-8H,1-6H2.
What are the key properties of 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one?
7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one has a molecular weight of 206.24 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2,3-diazatricyclo[7.3.1.13,12]tetradeca-1,12(14)-dien-8-one is sourced from PubChem (CID 10488492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).