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

C14H14N2O2 — CID 751335

IUPAC3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol
SMILESO=NC1=C(c2c(O)[nH]c3ccccc23)CCCC1
InChIInChI=1S/C14H14N2O2/c17-14-13(9-5-1-3-7-11(9)15-14)10-6-2-4-8-12(10)16-18/h1,3,5,7,15,17H,2,4,6,8H2
InChIKeyADCVCIBUBAEFRO-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.92
Rot. Bonds2

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

3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol (PubChem CID 751335) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol
PubChem CID751335
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol
SMILESO=NC1=C(c2c(O)[nH]c3ccccc23)CCCC1
InChIInChI=1S/C14H14N2O2/c17-14-13(9-5-1-3-7-11(9)15-14)10-6-2-4-8-12(10)16-18/h1,3,5,7,15,17H,2,4,6,8H2
InChIKeyADCVCIBUBAEFRO-UHFFFAOYSA-N
XLogP3.92
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol?
The IUPAC name of 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol (CID 751335) is 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol is O=NC1=C(c2c(O)[nH]c3ccccc23)CCCC1.
What is the InChIKey of 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol?
The InChIKey is ADCVCIBUBAEFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14-13(9-5-1-3-7-11(9)15-14)10-6-2-4-8-12(10)16-18/h1,3,5,7,15,17H,2,4,6,8H2.
What are the key properties of 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol?
3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol has a molecular weight of 242.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrosocyclohexen-1-yl)-1H-indol-2-ol is sourced from PubChem (CID 751335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).