8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one

C11H10N2O3 — CID 89207872

IUPAC8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one
SMILESO=NC1COc2ccc3c(c2C1)C(=O)NC3
InChIInChI=1S/C11H10N2O3/c14-11-10-6(4-12-11)1-2-9-8(10)3-7(13-15)5-16-9/h1-2,7H,3-5H2,(H,12,14)
InChIKeyRQCMDGMVHZJLHQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.00
Rot. Bonds1

About 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one

8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one (PubChem CID 89207872) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one.

Molecular Properties

Compound Name8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one
PubChem CID89207872
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one
SMILESO=NC1COc2ccc3c(c2C1)C(=O)NC3
InChIInChI=1S/C11H10N2O3/c14-11-10-6(4-12-11)1-2-9-8(10)3-7(13-15)5-16-9/h1-2,7H,3-5H2,(H,12,14)
InChIKeyRQCMDGMVHZJLHQ-UHFFFAOYSA-N
XLogP1.00
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one?
The IUPAC name of 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one (CID 89207872) is 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one.
What is the SMILES notation for 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one?
The canonical SMILES for 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one is O=NC1COc2ccc3c(c2C1)C(=O)NC3.
What is the InChIKey of 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one?
The InChIKey is RQCMDGMVHZJLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11-10-6(4-12-11)1-2-9-8(10)3-7(13-15)5-16-9/h1-2,7H,3-5H2,(H,12,14).
What are the key properties of 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one?
8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one has a molecular weight of 218.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitroso-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one is sourced from PubChem (CID 89207872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).