10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one

C11H7NO3 — CID 46883162

IUPAC10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
SMILESCc1cc(=O)oc2nc3occc3cc12
InChIInChI=1S/C11H7NO3/c1-6-4-9(13)15-11-8(6)5-7-2-3-14-10(7)12-11/h2-5H,1H3
InChIKeyOUOYABQIHBTLPQ-UHFFFAOYSA-N
MW201.18 g/mol
LogP2.24
Rot. Bonds

About 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one

10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one (PubChem CID 46883162) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one.

Molecular Properties

Compound Name10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
PubChem CID46883162
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
SMILESCc1cc(=O)oc2nc3occc3cc12
InChIInChI=1S/C11H7NO3/c1-6-4-9(13)15-11-8(6)5-7-2-3-14-10(7)12-11/h2-5H,1H3
InChIKeyOUOYABQIHBTLPQ-UHFFFAOYSA-N
XLogP2.24
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
The IUPAC name of 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one (CID 46883162) is 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one.
What is the SMILES notation for 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
The canonical SMILES for 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one is Cc1cc(=O)oc2nc3occc3cc12.
What is the InChIKey of 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
The InChIKey is OUOYABQIHBTLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c1-6-4-9(13)15-11-8(6)5-7-2-3-14-10(7)12-11/h2-5H,1H3.
What are the key properties of 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one?
10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one has a molecular weight of 201.18 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one is sourced from PubChem (CID 46883162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).