3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

C16H11N3O2 — CID 3707

IUPAC3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2ccccc12
InChIInChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
InChIKeyFQCPPVRJPILDIK-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.42
Rot. Bonds2

About 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 3707) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID3707
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2ccccc12
InChIInChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
InChIKeyFQCPPVRJPILDIK-UHFFFAOYSA-N
XLogP4.42
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 3707) is 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is O=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2ccccc12.
What is the InChIKey of 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is FQCPPVRJPILDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H.
What are the key properties of 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol has a molecular weight of 277.28 g/mol, XLogP of 4.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 3707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).