10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol

C12H9NO3 — CID 56679742

IUPAC10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol
SMILESO=Nc1c(O)cc2c3c(cccc13)CCO2
InChIInChI=1S/C12H9NO3/c14-9-6-10-11-7(4-5-16-10)2-1-3-8(11)12(9)13-15/h1-3,6,14H,4-5H2
InChIKeySGEUPMNAXQBTJN-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.88
Rot. Bonds1

About 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol

10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol (PubChem CID 56679742) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol.

Molecular Properties

Compound Name10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol
PubChem CID56679742
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol
SMILESO=Nc1c(O)cc2c3c(cccc13)CCO2
InChIInChI=1S/C12H9NO3/c14-9-6-10-11-7(4-5-16-10)2-1-3-8(11)12(9)13-15/h1-3,6,14H,4-5H2
InChIKeySGEUPMNAXQBTJN-UHFFFAOYSA-N
XLogP2.88
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol?
The IUPAC name of 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol (CID 56679742) is 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol.
What is the SMILES notation for 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol?
The canonical SMILES for 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol is O=Nc1c(O)cc2c3c(cccc13)CCO2.
What is the InChIKey of 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol?
The InChIKey is SGEUPMNAXQBTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-9-6-10-11-7(4-5-16-10)2-1-3-8(11)12(9)13-15/h1-3,6,14H,4-5H2.
What are the key properties of 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol?
10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol has a molecular weight of 215.21 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol is sourced from PubChem (CID 56679742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).