10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one

C11H9NO2 — CID 169153410

IUPAC10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one
SMILESCc1cn2c3c(cccc3c1=O)OC2
InChIInChI=1S/C11H9NO2/c1-7-5-12-6-14-9-4-2-3-8(10(9)12)11(7)13/h2-5H,6H2,1H3
InChIKeyJMWPVPAVJVPDPQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.66
Rot. Bonds

About 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one

10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one (PubChem CID 169153410) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one.

Molecular Properties

Compound Name10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one
PubChem CID169153410
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one
SMILESCc1cn2c3c(cccc3c1=O)OC2
InChIInChI=1S/C11H9NO2/c1-7-5-12-6-14-9-4-2-3-8(10(9)12)11(7)13/h2-5H,6H2,1H3
InChIKeyJMWPVPAVJVPDPQ-UHFFFAOYSA-N
XLogP1.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one?
The IUPAC name of 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one (CID 169153410) is 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one.
What is the SMILES notation for 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one?
The canonical SMILES for 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one is Cc1cn2c3c(cccc3c1=O)OC2.
What is the InChIKey of 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one?
The InChIKey is JMWPVPAVJVPDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-5-12-6-14-9-4-2-3-8(10(9)12)11(7)13/h2-5H,6H2,1H3.
What are the key properties of 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one?
10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one has a molecular weight of 187.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-9-one is sourced from PubChem (CID 169153410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).