7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one

C11H6N2O4 — CID 135593097

IUPAC7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one
SMILESO=Nc1c(=O)[nH]c2ccc3oc(O)ccc3c12
InChIInChI=1S/C11H6N2O4/c14-8-4-1-5-7(17-8)3-2-6-9(5)10(13-16)11(15)12-6/h1-4,14H,(H,12,15)
InChIKeyJVPMFWZRRSOMDG-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.38
Rot. Bonds1

About 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one

7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one (PubChem CID 135593097) has the molecular formula C11H6N2O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one.

Molecular Properties

Compound Name7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one
PubChem CID135593097
Molecular FormulaC11H6N2O4
Molecular Weight230.18 g/mol
Exact Mass230.03
IUPAC Name7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one
SMILESO=Nc1c(=O)[nH]c2ccc3oc(O)ccc3c12
InChIInChI=1S/C11H6N2O4/c14-8-4-1-5-7(17-8)3-2-6-9(5)10(13-16)11(15)12-6/h1-4,14H,(H,12,15)
InChIKeyJVPMFWZRRSOMDG-UHFFFAOYSA-N
XLogP2.38
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one?
The IUPAC name of 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one (CID 135593097) is 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one.
What is the SMILES notation for 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one?
The canonical SMILES for 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one is O=Nc1c(=O)[nH]c2ccc3oc(O)ccc3c12.
What is the InChIKey of 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one?
The InChIKey is JVPMFWZRRSOMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O4/c14-8-4-1-5-7(17-8)3-2-6-9(5)10(13-16)11(15)12-6/h1-4,14H,(H,12,15).
What are the key properties of 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one?
7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one has a molecular weight of 230.18 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-nitroso-3H-pyrano[3,2-e]indol-2-one is sourced from PubChem (CID 135593097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).